6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

C17H26N8 — CID 126888483

IUPAC6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc4n3CCC4)CC2)ncn1
InChIInChI=1S/C17H26N8/c1-23(2)16-10-14(18-12-19-16)20-13-5-8-24(9-6-13)11-17-22-21-15-4-3-7-25(15)17/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyZNZNBPAXVMJMNY-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.16
Rot. Bonds5

About 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 126888483) has the molecular formula C17H26N8 and a molecular weight of 342.45 g/mol. Its IUPAC name is 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID126888483
Molecular FormulaC17H26N8
Molecular Weight342.45 g/mol
Exact Mass342.23
IUPAC Name6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(Cc3nnc4n3CCC4)CC2)ncn1
InChIInChI=1S/C17H26N8/c1-23(2)16-10-14(18-12-19-16)20-13-5-8-24(9-6-13)11-17-22-21-15-4-3-7-25(15)17/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyZNZNBPAXVMJMNY-UHFFFAOYSA-N
XLogP1.16
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

6-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888620
4-N,4-N-dimethyl-6-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888582
6-N-cyclopentyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281906
4-N,4-N-dimethyl-6-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888535
4-N,4-N-dimethyl-6-N-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888630
4-N,4-N-dimethyl-6-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888478
4-N,4-N-dimethyl-6-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888598
4-N,4-N-dimethyl-6-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 126877477
1-(azepan-1-yl)-2-[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 146079543
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888559
6-N-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171999428
4-N,4-N-dimethyl-6-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888667

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 126888483) is 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(Cc3nnc4n3CCC4)CC2)ncn1.
What is the InChIKey of 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is ZNZNBPAXVMJMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8/c1-23(2)16-10-14(18-12-19-16)20-13-5-8-24(9-6-13)11-17-22-21-15-4-3-7-25(15)17/h10,12-13H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 342.45 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 126888483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).