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

C15H20N6 — CID 112952675

IUPAC5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1cc(CNc2nncc(N3CCCCCC3)n2)ccn1
InChIInChI=1S/C15H20N6/c1-2-4-10-21(9-3-1)14-12-18-20-15(19-14)17-11-13-5-7-16-8-6-13/h5-8,12H,1-4,9-11H2,(H,17,19,20)
InChIKeyMHWLNCSSDXXSMG-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.26
Rot. Bonds4

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

5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 112952675) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID112952675
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
SMILESc1cc(CNc2nncc(N3CCCCCC3)n2)ccn1
InChIInChI=1S/C15H20N6/c1-2-4-10-21(9-3-1)14-12-18-20-15(19-14)17-11-13-5-7-16-8-6-13/h5-8,12H,1-4,9-11H2,(H,17,19,20)
InChIKeyMHWLNCSSDXXSMG-UHFFFAOYSA-N
XLogP2.26
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112941063
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
5-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112956396
N-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941832
N-[(2-chlorophenyl)methyl]-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941828
5-(azepan-1-yl)-N-(2-phenylethyl)-1,2,4-triazin-3-amine
CID 112952983
N-(2-methylpropyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112940461
N-prop-2-enyl-5-pyrrolidin-1-yl-1,2,4-triazin-3-amine
CID 112939679
N-(2-methoxyethyl)-5-piperidin-1-yl-1,2,4-triazin-3-amine
CID 112941809
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-[(4-fluorophenyl)methyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112950060
N-(pyridin-3-ylmethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-3-amine
CID 112952345

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine (CID 112952675) is 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is c1cc(CNc2nncc(N3CCCCCC3)n2)ccn1.
What is the InChIKey of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is MHWLNCSSDXXSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-4-10-21(9-3-1)14-12-18-20-15(19-14)17-11-13-5-7-16-8-6-13/h5-8,12H,1-4,9-11H2,(H,17,19,20).
What are the key properties of 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine?
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 284.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 112952675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).