7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

C18H17N7 — CID 126649364

IUPAC7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(-c3cccc(C4CC4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H17N7/c19-16-8-14(17-18(21-16)23-24-22-17)6-11-9-20-25(10-11)15-3-1-2-13(7-15)12-4-5-12/h1-3,7-10,12H,4-6H2,(H3,19,21,22,23,24)
InChIKeyJYTSVSGZOPWTNQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.59
Rot. Bonds4

About 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649364) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649364
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC Name7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2cnn(-c3cccc(C4CC4)c3)c2)c2n[nH]nc2n1
InChIInChI=1S/C18H17N7/c19-16-8-14(17-18(21-16)23-24-22-17)6-11-9-20-25(10-11)15-3-1-2-13(7-15)12-4-5-12/h1-3,7-10,12H,4-6H2,(H3,19,21,22,23,24)
InChIKeyJYTSVSGZOPWTNQ-UHFFFAOYSA-N
XLogP2.59
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649364) is 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2cnn(-c3cccc(C4CC4)c3)c2)c2n[nH]nc2n1.
What is the InChIKey of 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is JYTSVSGZOPWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-16-8-14(17-18(21-16)23-24-22-17)6-11-9-20-25(10-11)15-3-1-2-13(7-15)12-4-5-12/h1-3,7-10,12H,4-6H2,(H3,19,21,22,23,24).
What are the key properties of 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 331.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[1-(3-cyclopropylphenyl)pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).