4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

C11H10N8 — CID 104737196

IUPAC4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccnc2)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8/c12-10-16-9(4-8-2-1-3-13-5-8)17-11(18-10)19-7-14-6-15-19/h1-3,5-7H,4H2,(H2,12,16,17,18)
InChIKeyMVBGHMBWBLDTSF-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.02
Rot. Bonds3

About 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine

4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 104737196) has the molecular formula C11H10N8 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID104737196
Molecular FormulaC11H10N8
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2cccnc2)nc(-n2cncn2)n1
InChIInChI=1S/C11H10N8/c12-10-16-9(4-8-2-1-3-13-5-8)17-11(18-10)19-7-14-6-15-19/h1-3,5-7H,4H2,(H2,12,16,17,18)
InChIKeyMVBGHMBWBLDTSF-UHFFFAOYSA-N
XLogP0.02
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681587
2-chloro-4-pyrazol-1-yl-6-(pyridin-3-ylmethyl)-1,3,5-triazine
CID 104737125
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
4-chloro-N-methyl-N-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864391
4-(3-ethylphenoxy)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80846676
4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 66272108
4-cycloheptyl-6-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63868638
2-N-[(3-chlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80803262
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993
4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775224
4-(3,5-dimethylpyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80852867

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 104737196) is 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Nc1nc(Cc2cccnc2)nc(-n2cncn2)n1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is MVBGHMBWBLDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8/c12-10-16-9(4-8-2-1-3-13-5-8)17-11(18-10)19-7-14-6-15-19/h1-3,5-7H,4H2,(H2,12,16,17,18).
What are the key properties of 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 254.26 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 104737196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).