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

C14H20N6 — CID 102800753

IUPAC[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1cccnc1-c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C14H20N6/c1-10-3-2-6-16-12(10)13-17-14(19-18-13)20-7-4-11(9-15)5-8-20/h2-3,6,11H,4-5,7-9,15H2,1H3,(H,17,18,19)
InChIKeyQJTZYGXVLVUVDH-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.35
Rot. Bonds3

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

[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (PubChem CID 102800753) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
PubChem CID102800753
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
SMILESCc1cccnc1-c1nc(N2CCC(CN)CC2)n[nH]1
InChIInChI=1S/C14H20N6/c1-10-3-2-6-16-12(10)13-17-14(19-18-13)20-7-4-11(9-15)5-8-20/h2-3,6,11H,4-5,7-9,15H2,1H3,(H,17,18,19)
InChIKeyQJTZYGXVLVUVDH-UHFFFAOYSA-N
XLogP1.35
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine (CID 102800753) is [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is Cc1cccnc1-c1nc(N2CCC(CN)CC2)n[nH]1.
What is the InChIKey of [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
The InChIKey is QJTZYGXVLVUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-10-3-2-6-16-12(10)13-17-14(19-18-13)20-7-4-11(9-15)5-8-20/h2-3,6,11H,4-5,7-9,15H2,1H3,(H,17,18,19).
What are the key properties of [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine?
[1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine has a molecular weight of 272.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine is sourced from PubChem (CID 102800753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).