2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine

C16H18N6 — CID 146145310

IUPAC2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine
SMILESc1ccc(-n2ncc(NCc3cc4n(n3)CCCC4)n2)cc1
InChIInChI=1S/C16H18N6/c1-2-6-14(7-3-1)22-18-12-16(20-22)17-11-13-10-15-8-4-5-9-21(15)19-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,17,20)
InChIKeyIVVPJMUKATXDBT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.41
Rot. Bonds4

About 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine

2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine (PubChem CID 146145310) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine
PubChem CID146145310
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine
SMILESc1ccc(-n2ncc(NCc3cc4n(n3)CCCC4)n2)cc1
InChIInChI=1S/C16H18N6/c1-2-6-14(7-3-1)22-18-12-16(20-22)17-11-13-10-15-8-4-5-9-21(15)19-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,17,20)
InChIKeyIVVPJMUKATXDBT-UHFFFAOYSA-N
XLogP2.41
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine?
The IUPAC name of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine (CID 146145310) is 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine.
What is the SMILES notation for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine?
The canonical SMILES for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine is c1ccc(-n2ncc(NCc3cc4n(n3)CCCC4)n2)cc1.
What is the InChIKey of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine?
The InChIKey is IVVPJMUKATXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-2-6-14(7-3-1)22-18-12-16(20-22)17-11-13-10-15-8-4-5-9-21(15)19-13/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,17,20).
What are the key properties of 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine?
2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine has a molecular weight of 294.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)triazol-4-amine is sourced from PubChem (CID 146145310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).