N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide

C13H18N6O — CID 131913662

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H18N6O/c20-13(2-1-5-19-9-14-8-16-19)17-11-4-3-10-7-15-18-12(10)6-11/h7-9,11H,1-6H2,(H,15,18)(H,17,20)
InChIKeyJLECUPFYODXJSU-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.46
Rot. Bonds5

About N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide

N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 131913662) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID131913662
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESO=C(CCCn1cncn1)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C13H18N6O/c20-13(2-1-5-19-9-14-8-16-19)17-11-4-3-10-7-15-18-12(10)6-11/h7-9,11H,1-6H2,(H,15,18)(H,17,20)
InChIKeyJLECUPFYODXJSU-UHFFFAOYSA-N
XLogP0.46
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 131913662) is N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide is O=C(CCCn1cncn1)NC1CCc2cn[nH]c2C1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is JLECUPFYODXJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c20-13(2-1-5-19-9-14-8-16-19)17-11-4-3-10-7-15-18-12(10)6-11/h7-9,11H,1-6H2,(H,15,18)(H,17,20).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 131913662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).