N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C20H28N4 — CID 167962937

IUPACN-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nnc2n1CC(CNC1CCCc3ccccc31)CC2
InChIInChI=1S/C20H28N4/c1-14(2)20-23-22-19-11-10-15(13-24(19)20)12-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18,21H,5,7,9-13H2,1-2H3
InChIKeyUUDHNQJKQOAECJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.63
Rot. Bonds4

About N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 167962937) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID167962937
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)c1nnc2n1CC(CNC1CCCc3ccccc31)CC2
InChIInChI=1S/C20H28N4/c1-14(2)20-23-22-19-11-10-15(13-24(19)20)12-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18,21H,5,7,9-13H2,1-2H3
InChIKeyUUDHNQJKQOAECJ-UHFFFAOYSA-N
XLogP3.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-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-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
CID 95328023
2-[(S)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329794
2-[(R)-phenylsulfinyl]-N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95329792
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
N-[(2-methyl-3-pyridinyl)methyl]-1-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95305026
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 136737906
N-[[(2S)-oxan-2-yl]methyl]-1-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95329750
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 167962937) is N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)c1nnc2n1CC(CNC1CCCc3ccccc31)CC2.
What is the InChIKey of N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UUDHNQJKQOAECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-14(2)20-23-22-19-11-10-15(13-24(19)20)12-21-18-9-5-7-16-6-3-4-8-17(16)18/h3-4,6,8,14-15,18,21H,5,7,9-13H2,1-2H3.
What are the key properties of N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 167962937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).