2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide

C13H18N6O — CID 9195767

IUPAC2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N6O/c1-3-9-14-12(20)10-18(2)13-15-16-17-19(13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,20)
InChIKeyJSXSHNSOYXUTRB-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.62
Rot. Bonds6

About 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide

2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide (PubChem CID 9195767) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
PubChem CID9195767
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnnn1-c1ccccc1
InChIInChI=1S/C13H18N6O/c1-3-9-14-12(20)10-18(2)13-15-16-17-19(13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,20)
InChIKeyJSXSHNSOYXUTRB-UHFFFAOYSA-N
XLogP0.62
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide (CID 9195767) is 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C)c1nnnn1-c1ccccc1.
What is the InChIKey of 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide?
The InChIKey is JSXSHNSOYXUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-3-9-14-12(20)10-18(2)13-15-16-17-19(13)11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H,14,20).
What are the key properties of 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide?
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide has a molecular weight of 274.33 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide is sourced from PubChem (CID 9195767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).