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

C6H10N4O — CID 5020131

IUPACN-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-3-5(11)9-6-7-4-8-10-6/h4H,2-3H2,1H3,(H2,7,8,9,10,11)
InChIKeyIALIDNKBQBJWAE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.54
Rot. Bonds3

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

N-(1H-1,2,4-triazol-5-yl)butanamide (PubChem CID 5020131) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)butanamide
PubChem CID5020131
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(1H-1,2,4-triazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ncn[nH]1
InChIInChI=1S/C6H10N4O/c1-2-3-5(11)9-6-7-4-8-10-6/h4H,2-3H2,1H3,(H2,7,8,9,10,11)
InChIKeyIALIDNKBQBJWAE-UHFFFAOYSA-N
XLogP0.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-N-(1H-1,2,4-triazol-5-yl)dodecanamide
CID 56696523
5-chloro-N-(1H-1,2,4-triazol-5-yl)pentanamide
CID 63665630
2-ethoxy-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 61216264
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 61216623
3-[(2-phenylacetyl)amino]-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30864454
3-benzylsulfanyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 8797908
N-ethyl-N-(1H-1,2,4-triazol-5-ylcarbamoyl)carbamate
CID 57349108
4-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 30866887
4-[benzenesulfonyl(methyl)amino]-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 2216075
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)butanamide
CID 47255836
3-(3-chloro-4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 47164092

Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)butanamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)butanamide (CID 5020131) is N-(1H-1,2,4-triazol-5-yl)butanamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)butanamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)butanamide is CCCC(=O)Nc1ncn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)butanamide?
The InChIKey is IALIDNKBQBJWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-2-3-5(11)9-6-7-4-8-10-6/h4H,2-3H2,1H3,(H2,7,8,9,10,11).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)butanamide?
N-(1H-1,2,4-triazol-5-yl)butanamide has a molecular weight of 154.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)butanamide is sourced from PubChem (CID 5020131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).