3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine

C14H18N6 — CID 112942024

IUPAC3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESc1ccc(CNc2cnnc(N3CCCCC3)n2)nc1
InChIInChI=1S/C14H18N6/c1-4-8-20(9-5-1)14-18-13(11-17-19-14)16-10-12-6-2-3-7-15-12/h2-3,6-7,11H,1,4-5,8-10H2,(H,16,18,19)
InChIKeyBHBBYQPOKADVRD-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.87
Rot. Bonds4

About 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine

3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine (PubChem CID 112942024) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
PubChem CID112942024
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
SMILESc1ccc(CNc2cnnc(N3CCCCC3)n2)nc1
InChIInChI=1S/C14H18N6/c1-4-8-20(9-5-1)14-18-13(11-17-19-14)16-10-12-6-2-3-7-15-12/h2-3,6-7,11H,1,4-5,8-10H2,(H,16,18,19)
InChIKeyBHBBYQPOKADVRD-UHFFFAOYSA-N
XLogP1.87
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine
CID 112951853
3-(azepan-1-yl)-N-[(3-methylphenyl)methyl]-1,2,4-triazin-5-amine
CID 112948261
N-(2-phenylethyl)-3-pyrrolidin-1-yl-1,2,4-triazin-5-amine
CID 112941265
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951053
6-(azepan-1-yl)-2-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 112881321
3-N-(2-morpholin-4-ylethyl)-5-N-(pyridin-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112945265
N-(3-methylbutyl)-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942066
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112951329
N-(pyridin-2-ylmethyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112860589
N-(3-methylbutyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112957940
N-[2-(4-methoxyphenoxy)ethyl]-3-piperidin-1-yl-1,2,4-triazin-5-amine
CID 112942061

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The IUPAC name of 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine (CID 112942024) is 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine.
What is the SMILES notation for 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The canonical SMILES for 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine is c1ccc(CNc2cnnc(N3CCCCC3)n2)nc1.
What is the InChIKey of 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
The InChIKey is BHBBYQPOKADVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-4-8-20(9-5-1)14-18-13(11-17-19-14)16-10-12-6-2-3-7-15-12/h2-3,6-7,11H,1,4-5,8-10H2,(H,16,18,19).
What are the key properties of 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine?
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine has a molecular weight of 270.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-(pyridin-2-ylmethyl)-1,2,4-triazin-5-amine is sourced from PubChem (CID 112942024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).