3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide

C16H20N6O — CID 119699623

IUPAC3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C16H20N6O/c17-12-5-4-11(8-12)16(23)18-13-3-1-2-10(9-13)15-19-20-21-22(15)14-6-7-14/h1-3,9,11-12,14H,4-8,17H2,(H,18,23)
InChIKeyDYOHTJJIQVQSJB-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119699623) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID119699623
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C16H20N6O/c17-12-5-4-11(8-12)16(23)18-13-3-1-2-10(9-13)15-19-20-21-22(15)14-6-7-14/h1-3,9,11-12,14H,4-8,17H2,(H,18,23)
InChIKeyDYOHTJJIQVQSJB-UHFFFAOYSA-N
XLogP1.74
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 35367747
3-amino-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119856940
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenylpropanamide
CID 120587693
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide (CID 119699623) is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is DYOHTJJIQVQSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c17-12-5-4-11(8-12)16(23)18-13-3-1-2-10(9-13)15-19-20-21-22(15)14-6-7-14/h1-3,9,11-12,14H,4-8,17H2,(H,18,23).
What are the key properties of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119699623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).