N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C13H15N7 — CID 114555142

IUPACN-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCn1nccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N7/c1-2-19-12(5-6-17-19)8-15-11-3-4-13(16-7-11)20-10-14-9-18-20/h3-7,9-10,15H,2,8H2,1H3
InChIKeyWVPMMDWNNMFCLD-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.49
Rot. Bonds5

About N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 114555142) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID114555142
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC NameN-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCCn1nccc1CNc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H15N7/c1-2-19-12(5-6-17-19)8-15-11-3-4-13(16-7-11)20-10-14-9-18-20/h3-7,9-10,15H,2,8H2,1H3
InChIKeyWVPMMDWNNMFCLD-UHFFFAOYSA-N
XLogP1.49
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 103569241
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-(3,3-dimethylbutyl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 62951127
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[(2-ethylpyrazol-3-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 115762828
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691631
N-[(2-ethylpyrazol-3-yl)methyl]-1H-pyrazol-4-amine
CID 114554977
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 19626405
N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
N-(5-methylheptan-3-yl)-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43691593
N-[(4-chloro-2-fluorophenyl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 114841724

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 114555142) is N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is CCn1nccc1CNc1ccc(-n2cncn2)nc1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is WVPMMDWNNMFCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-19-12(5-6-17-19)8-15-11-3-4-13(16-7-11)20-10-14-9-18-20/h3-7,9-10,15H,2,8H2,1H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 114555142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).