N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine

C14H20N6 — CID 102800138

IUPACN-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2n[nH]c(-c3cccnc3)n2)CC1
InChIInChI=1S/C14H20N6/c1-15-9-11-4-7-20(8-5-11)14-17-13(18-19-14)12-3-2-6-16-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,17,18,19)
InChIKeyAMZPLSQBPRCMJI-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine

N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (PubChem CID 102800138) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
PubChem CID102800138
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC NameN-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine
SMILESCNCC1CCN(c2n[nH]c(-c3cccnc3)n2)CC1
InChIInChI=1S/C14H20N6/c1-15-9-11-4-7-20(8-5-11)14-17-13(18-19-14)12-3-2-6-16-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,17,18,19)
InChIKeyAMZPLSQBPRCMJI-UHFFFAOYSA-N
XLogP1.30
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[1-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800069
N-methyl-1-[1-[5-(5-methylthiophen-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800136
N-methyl-1-[1-(5-pyridazin-4-yl-1H-1,2,4-triazol-3-yl)piperidin-3-yl]methanamine
CID 102799660
1-[1-[5-(2,5-dimethylfuran-3-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800061
1-[1-[5-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799637
1-[1-[5-(3-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-yl]-N-methylmethanamine
CID 102799712
1-[1-[5-(1-cyclopropylethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 102800196
1-[1-[5-(cyclobutylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]-N-methylmethanamine
CID 103162652
N-methyl-1-[1-[5-(thiolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800095
N-methyl-1-[1-[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800134
N-methyl-1-[1-[5-(2-methylbutan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800149
1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793886

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine (CID 102800138) is N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is CNCC1CCN(c2n[nH]c(-c3cccnc3)n2)CC1.
What is the InChIKey of N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
The InChIKey is AMZPLSQBPRCMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-15-9-11-4-7-20(8-5-11)14-17-13(18-19-14)12-3-2-6-16-10-12/h2-3,6,10-11,15H,4-5,7-9H2,1H3,(H,17,18,19).
What are the key properties of N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine?
N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine has a molecular weight of 272.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 102800138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).