4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide

C12H23N5O — CID 13103342

IUPAC4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1nnnc1C
InChIInChI=1S/C12H23N5O/c1-4-8-16(9-5-2)12(18)7-6-10-17-11(3)13-14-15-17/h4-10H2,1-3H3
InChIKeyRYKPPZQEWXJBOE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.41
Rot. Bonds8

About 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide

4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide (PubChem CID 13103342) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
PubChem CID13103342
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CCCn1nnnc1C
InChIInChI=1S/C12H23N5O/c1-4-8-16(9-5-2)12(18)7-6-10-17-11(3)13-14-15-17/h4-10H2,1-3H3
InChIKeyRYKPPZQEWXJBOE-UHFFFAOYSA-N
XLogP1.41
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-
CID 3061971
1H-Tetrazole-1-butanamide, N-cyclohexyl-N-ethyl-5-methyl-
CID 3061972
1-[4-[(1-Propyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45800023
N-butyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103341
N,N-dibutyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103343
N-hexyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103344
4-(5-Methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one
CID 13103357
4-(5-Methyltetrazol-1-yl)-1-piperidin-1-ylbutan-1-one
CID 13103358
4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
CID 13103360
N,N-diethyl-5-(5-methyltetrazol-1-yl)pentanamide
CID 13103366
N,N-dimethyl-4-(5-methyltetrazol-1-yl)butanamide
CID 13103367
1-(4-Methylpiperazin-1-yl)-4-(5-methyltetrazol-1-yl)butan-1-one
CID 13138442

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide?
The IUPAC name of 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide (CID 13103342) is 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide.
What is the SMILES notation for 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide?
The canonical SMILES for 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CCCn1nnnc1C.
What is the InChIKey of 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide?
The InChIKey is RYKPPZQEWXJBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-8-16(9-5-2)12(18)7-6-10-17-11(3)13-14-15-17/h4-10H2,1-3H3.
What are the key properties of 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide?
4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide has a molecular weight of 253.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyltetrazol-1-yl)-N,N-dipropylbutanamide is sourced from PubChem (CID 13103342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).