5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide

C15H17N5O — CID 80547841

IUPAC5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C15H17N5O/c21-15(14-18-13(19-20-14)9-4-5-9)17-12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,16H,4-8H2,(H,17,21)(H,18,19,20)
InChIKeyMNQBBVAEZXBXKU-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.58
Rot. Bonds3

About 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide

5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 80547841) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide
PubChem CID80547841
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide
SMILESO=C(Nc1cccc2c1CCNC2)c1n[nH]c(C2CC2)n1
InChIInChI=1S/C15H17N5O/c21-15(14-18-13(19-20-14)9-4-5-9)17-12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,16H,4-8H2,(H,17,21)(H,18,19,20)
InChIKeyMNQBBVAEZXBXKU-UHFFFAOYSA-N
XLogP1.58
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide (CID 80547841) is 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide is O=C(Nc1cccc2c1CCNC2)c1n[nH]c(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is MNQBBVAEZXBXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15(14-18-13(19-20-14)9-4-5-9)17-12-3-1-2-10-8-16-7-6-11(10)12/h1-3,9,16H,4-8H2,(H,17,21)(H,18,19,20).
What are the key properties of 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 80547841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).