4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide

C7H10N8O — CID 125432900

IUPAC4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCn1cnnn1)Nc1ncn[nH]1
InChIInChI=1S/C7H10N8O/c16-6(11-7-8-4-9-12-7)2-1-3-15-5-10-13-14-15/h4-5H,1-3H2,(H2,8,9,11,12,16)
InChIKeyUINGGLNGTSZSKW-UHFFFAOYSA-N
MW222.21 g/mol
LogP-0.79
Rot. Bonds5

About 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide

4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 125432900) has the molecular formula C7H10N8O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID125432900
Molecular FormulaC7H10N8O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
SMILESO=C(CCCn1cnnn1)Nc1ncn[nH]1
InChIInChI=1S/C7H10N8O/c16-6(11-7-8-4-9-12-7)2-1-3-15-5-10-13-14-15/h4-5H,1-3H2,(H2,8,9,11,12,16)
InChIKeyUINGGLNGTSZSKW-UHFFFAOYSA-N
XLogP-0.79
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide (CID 125432900) is 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide is O=C(CCCn1cnnn1)Nc1ncn[nH]1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is UINGGLNGTSZSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N8O/c16-6(11-7-8-4-9-12-7)2-1-3-15-5-10-13-14-15/h4-5H,1-3H2,(H2,8,9,11,12,16).
What are the key properties of 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide?
4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 222.21 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 125432900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).