7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C16H24N10 — CID 95868685

IUPAC7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCN(C)Cc1nnc([C@@H]2CCCN(c3cc4nncn4c(N)n3)C2)n1C
InChIInChI=1S/C16H24N10/c1-23(2)9-14-21-22-15(24(14)3)11-5-4-6-25(8-11)12-7-13-20-18-10-26(13)16(17)19-12/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,19)/t11-/m1/s1
InChIKeyFFNKDAKGPDVELP-LLVKDONJSA-N
MW356.44 g/mol
LogP0.28
Rot. Bonds4

About 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 95868685) has the molecular formula C16H24N10 and a molecular weight of 356.44 g/mol. Its IUPAC name is 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID95868685
Molecular FormulaC16H24N10
Molecular Weight356.44 g/mol
Exact Mass356.22
IUPAC Name7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCN(C)Cc1nnc([C@@H]2CCCN(c3cc4nncn4c(N)n3)C2)n1C
InChIInChI=1S/C16H24N10/c1-23(2)9-14-21-22-15(24(14)3)11-5-4-6-25(8-11)12-7-13-20-18-10-26(13)16(17)19-12/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,19)/t11-/m1/s1
InChIKeyFFNKDAKGPDVELP-LLVKDONJSA-N
XLogP0.28
TPSA106.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95860779
7-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 72885247
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 70722106
6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95876992
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
1-[5-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95868729
7-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 56877858
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95882691
1-[5-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]-N,N-dimethylmethanamine
CID 95893994
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
6-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95867996

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 95868685) is 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CN(C)Cc1nnc([C@@H]2CCCN(c3cc4nncn4c(N)n3)C2)n1C.
What is the InChIKey of 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is FFNKDAKGPDVELP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N10/c1-23(2)9-14-21-22-15(24(14)3)11-5-4-6-25(8-11)12-7-13-20-18-10-26(13)16(17)19-12/h7,10-11H,4-6,8-9H2,1-3H3,(H2,17,19)/t11-/m1/s1.
What are the key properties of 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 356.44 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 95868685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).