N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H15N7 — CID 43691631

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1n[nH]c(C)c1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N7/c1-9-12(10(2)19-18-9)6-15-11-3-4-13(16-5-11)20-8-14-7-17-20/h3-5,7-8,15H,6H2,1-2H3,(H,18,19)
InChIKeyRZDKURBSKIKLNJ-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.61
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 43691631) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID43691631
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1n[nH]c(C)c1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N7/c1-9-12(10(2)19-18-9)6-15-11-3-4-13(16-5-11)20-8-14-7-17-20/h3-5,7-8,15H,6H2,1-2H3,(H,18,19)
InChIKeyRZDKURBSKIKLNJ-UHFFFAOYSA-N
XLogP1.61
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine with MolForge

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691581
N-[(2-methylphenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691536
N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
N-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114555142
2-fluoro-4-[[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]methyl]phenol
CID 107685453
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 43644812
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(1H-1,2,4-triazol-5-ylsulfanyl)aniline
CID 43729254
N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691593

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 43691631) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is Cc1n[nH]c(C)c1CNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is RZDKURBSKIKLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-9-12(10(2)19-18-9)6-15-11-3-4-13(16-5-11)20-8-14-7-17-20/h3-5,7-8,15H,6H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43691631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).