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

C17H15N7 — CID 137429886

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
SMILESc1ccc(-n2ccc(CNc3n[nH]c(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C17H15N7/c1-2-6-14(7-3-1)24-11-9-13(23-24)12-19-17-20-16(21-22-17)15-8-4-5-10-18-15/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyJHTRRYVYTSCQKZ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.66
Rot. Bonds5

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

N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine (PubChem CID 137429886) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
PubChem CID137429886
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
SMILESc1ccc(-n2ccc(CNc3n[nH]c(-c4ccccn4)n3)n2)cc1
InChIInChI=1S/C17H15N7/c1-2-6-14(7-3-1)24-11-9-13(23-24)12-19-17-20-16(21-22-17)15-8-4-5-10-18-15/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyJHTRRYVYTSCQKZ-UHFFFAOYSA-N
XLogP2.66
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-phenylpyrazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 113224886
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
4-chloro-N-[(1-phenylpyrazol-3-yl)methyl]aniline
CID 62884987
6-chloro-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-2-amine
CID 83093214
N-(1H-imidazol-2-ylmethyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 78922115
1-(1-phenylpyrazol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 83093025
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N-[(1-phenylpyrazol-3-yl)methyl]piperidin-1-amine
CID 83013966
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
N-[(1-phenylpyrazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714694
N-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine
CID 170639922
6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133277823

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine (CID 137429886) is N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine is c1ccc(-n2ccc(CNc3n[nH]c(-c4ccccn4)n3)n2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
The InChIKey is JHTRRYVYTSCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-2-6-14(7-3-1)24-11-9-13(23-24)12-19-17-20-16(21-22-17)15-8-4-5-10-18-15/h1-11H,12H2,(H2,19,20,21,22).
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine?
N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine has a molecular weight of 317.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-5-pyridin-2-yl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 137429886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).