4-(2H-triazol-4-yl)butanamide

C6H10N4O — CID 90219359

IUPAC4-(2H-triazol-4-yl)butanamide
SMILESNC(=O)CCCc1cn[nH]n1
InChIInChI=1S/C6H10N4O/c7-6(11)3-1-2-5-4-8-10-9-5/h4H,1-3H2,(H2,7,11)(H,8,9,10)
InChIKeyANCQFCNQJKOPSA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.39
Rot. Bonds4

About 4-(2H-triazol-4-yl)butanamide

4-(2H-triazol-4-yl)butanamide (PubChem CID 90219359) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(2H-triazol-4-yl)butanamide
PubChem CID90219359
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4-(2H-triazol-4-yl)butanamide
SMILESNC(=O)CCCc1cn[nH]n1
InChIInChI=1S/C6H10N4O/c7-6(11)3-1-2-5-4-8-10-9-5/h4H,1-3H2,(H2,7,11)(H,8,9,10)
InChIKeyANCQFCNQJKOPSA-UHFFFAOYSA-N
XLogP-0.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-triazol-4-yl)butanamide?
The IUPAC name of 4-(2H-triazol-4-yl)butanamide (CID 90219359) is 4-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for 4-(2H-triazol-4-yl)butanamide?
The canonical SMILES for 4-(2H-triazol-4-yl)butanamide is NC(=O)CCCc1cn[nH]n1.
What is the InChIKey of 4-(2H-triazol-4-yl)butanamide?
The InChIKey is ANCQFCNQJKOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-6(11)3-1-2-5-4-8-10-9-5/h4H,1-3H2,(H2,7,11)(H,8,9,10).
What are the key properties of 4-(2H-triazol-4-yl)butanamide?
4-(2H-triazol-4-yl)butanamide has a molecular weight of 154.17 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 90219359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).