4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide

C13H25N5O — CID 13103360

IUPAC4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
SMILESCCCCc1nnnn1CCCC(=O)N(CC)CC
InChIInChI=1S/C13H25N5O/c1-4-7-9-12-14-15-16-18(12)11-8-10-13(19)17(5-2)6-3/h4-11H2,1-3H3
InChIKeyBBVSRZMVIFFRQZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.66
Rot. Bonds9

About 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide

4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide (PubChem CID 13103360) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
PubChem CID13103360
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide
SMILESCCCCc1nnnn1CCCC(=O)N(CC)CC
InChIInChI=1S/C13H25N5O/c1-4-7-9-12-14-15-16-18(12)11-8-10-13(19)17(5-2)6-3/h4-11H2,1-3H3
InChIKeyBBVSRZMVIFFRQZ-UHFFFAOYSA-N
XLogP1.66
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide?
The IUPAC name of 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide (CID 13103360) is 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide.
What is the SMILES notation for 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide?
The canonical SMILES for 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide is CCCCc1nnnn1CCCC(=O)N(CC)CC.
What is the InChIKey of 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide?
The InChIKey is BBVSRZMVIFFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-4-7-9-12-14-15-16-18(12)11-8-10-13(19)17(5-2)6-3/h4-11H2,1-3H3.
What are the key properties of 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide?
4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide has a molecular weight of 267.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-butyltetrazol-1-yl)-N,N-diethylbutanamide is sourced from PubChem (CID 13103360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).