N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide

C13H18N6O — CID 119498184

IUPACN-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(N)CCNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H18N6O/c1-10(14)7-8-15-12(20)9-19-17-13(16-18-19)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,20)
InChIKeyAEPZGVPVUNZBQY-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.19
Rot. Bonds6

About N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 119498184) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID119498184
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCC(N)CCNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C13H18N6O/c1-10(14)7-8-15-12(20)9-19-17-13(16-18-19)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,20)
InChIKeyAEPZGVPVUNZBQY-UHFFFAOYSA-N
XLogP0.19
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 119498184) is N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide is CC(N)CCNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is AEPZGVPVUNZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-10(14)7-8-15-12(20)9-19-17-13(16-18-19)11-5-3-2-4-6-11/h2-6,10H,7-9,14H2,1H3,(H,15,20).
What are the key properties of N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 274.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 119498184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).