N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine

C15H22N6 — CID 63332224

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCn1cnnc1CCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N6/c1-20-12-18-19-15(20)5-9-16-13-6-10-21(11-7-13)14-4-2-3-8-17-14/h2-4,8,12-13,16H,5-7,9-11H2,1H3
InChIKeyKBSDQXMXCYMGPK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.01
Rot. Bonds5

About N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine (PubChem CID 63332224) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
PubChem CID63332224
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine
SMILESCn1cnnc1CCNC1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N6/c1-20-12-18-19-15(20)5-9-16-13-6-10-21(11-7-13)14-4-2-3-8-17-14/h2-4,8,12-13,16H,5-7,9-11H2,1H3
InChIKeyKBSDQXMXCYMGPK-UHFFFAOYSA-N
XLogP1.01
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine (CID 63332224) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine is Cn1cnnc1CCNC1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
The InChIKey is KBSDQXMXCYMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-20-12-18-19-15(20)5-9-16-13-6-10-21(11-7-13)14-4-2-3-8-17-14/h2-4,8,12-13,16H,5-7,9-11H2,1H3.
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-pyridin-2-ylpiperidin-4-amine is sourced from PubChem (CID 63332224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).