4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

C12H13N9 — CID 80775224

IUPAC4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccccn1)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H13N9/c1-20(6-9-4-2-3-5-15-9)11-17-10(13)18-12(19-11)21-8-14-7-16-21/h2-5,7-8H,6H2,1H3,(H2,13,17,18,19)
InChIKeyAMNAMMMSOYJGPD-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.07
Rot. Bonds4

About 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80775224) has the molecular formula C12H13N9 and a molecular weight of 283.30 g/mol. Its IUPAC name is 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80775224
Molecular FormulaC12H13N9
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccccn1)c1nc(N)nc(-n2cncn2)n1
InChIInChI=1S/C12H13N9/c1-20(6-9-4-2-3-5-15-9)11-17-10(13)18-12(19-11)21-8-14-7-16-21/h2-5,7-8H,6H2,1H3,(H2,13,17,18,19)
InChIKeyAMNAMMMSOYJGPD-UHFFFAOYSA-N
XLogP0.07
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N-methyl-4-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80774894
4-chloro-N-methyl-N-(pyridin-3-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864391
4-(4-methyl-3-pyridinyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 66272108
4-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 79918710
2-N-benzyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80770243
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80821216
5-fluoro-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328236
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 30661314
3-[[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-ethylamino]-2-methylpropanenitrile
CID 80806479
2-N-propan-2-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80766436

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine (CID 80775224) is 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is CN(Cc1ccccn1)c1nc(N)nc(-n2cncn2)n1.
What is the InChIKey of 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AMNAMMMSOYJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N9/c1-20(6-9-4-2-3-5-15-9)11-17-10(13)18-12(19-11)21-8-14-7-16-21/h2-5,7-8H,6H2,1H3,(H2,13,17,18,19).
What are the key properties of 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(pyridin-2-ylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80775224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).