2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine

C9H12N6 — CID 104743877

IUPAC2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCNc1nnc(-c2ncccc2N)n1C
InChIInChI=1S/C9H12N6/c1-11-9-14-13-8(15(9)2)7-6(10)4-3-5-12-7/h3-5H,10H2,1-2H3,(H,11,14)
InChIKeyHTEDCFOHAGXODZ-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.50
Rot. Bonds2

About 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine

2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine (PubChem CID 104743877) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine
PubChem CID104743877
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine
SMILESCNc1nnc(-c2ncccc2N)n1C
InChIInChI=1S/C9H12N6/c1-11-9-14-13-8(15(9)2)7-6(10)4-3-5-12-7/h3-5H,10H2,1-2H3,(H,11,14)
InChIKeyHTEDCFOHAGXODZ-UHFFFAOYSA-N
XLogP0.50
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-amino-2-pyridinyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 135397018
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849
5-[(2-aminophenyl)methyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597117
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)pyridin-3-amine
CID 113447833
5-(5-bromo-1,3-thiazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 164661841
2-(7-chloro-1-methylbenzimidazol-2-yl)pyridin-3-amine
CID 113447539
5-(4-amino-3,5-dichlorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112597206
5-(5-amino-1-phenylpyrazol-4-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 115945507
2-(5-bromo-3-methyltriazol-4-yl)pyridin-3-amine
CID 106463214
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
N,4-dimethyl-5-(1,3-thiazol-4-yl)-1,2,4-triazol-3-amine
CID 112596470

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine?
The IUPAC name of 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine (CID 104743877) is 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine is CNc1nnc(-c2ncccc2N)n1C.
What is the InChIKey of 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine?
The InChIKey is HTEDCFOHAGXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-11-9-14-13-8(15(9)2)7-6(10)4-3-5-12-7/h3-5H,10H2,1-2H3,(H,11,14).
What are the key properties of 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine?
2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine has a molecular weight of 204.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]pyridin-3-amine is sourced from PubChem (CID 104743877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).