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

C17H22N6O — CID 119699629

IUPAC3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C17H22N6O/c18-13-5-1-4-12(9-13)17(24)19-14-6-2-3-11(10-14)16-20-21-22-23(16)15-7-8-15/h2-3,6,10,12-13,15H,1,4-5,7-9,18H2,(H,19,24)
InChIKeyQRBLIPWUASVWMK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.13
Rot. Bonds4

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

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119699629) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119699629
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1
InChIInChI=1S/C17H22N6O/c18-13-5-1-4-12(9-13)17(24)19-14-6-2-3-11(10-14)16-20-21-22-23(16)15-7-8-15/h2-3,6,10,12-13,15H,1,4-5,7-9,18H2,(H,19,24)
InChIKeyQRBLIPWUASVWMK-UHFFFAOYSA-N
XLogP2.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
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
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 35367747
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42934236
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
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 119699629) is 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)C1.
What is the InChIKey of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is QRBLIPWUASVWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-13-5-1-4-12(9-13)17(24)19-14-6-2-3-11(10-14)16-20-21-22-23(16)15-7-8-15/h2-3,6,10,12-13,15H,1,4-5,7-9,18H2,(H,19,24).
What are the key properties of 3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.13, 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]cyclohexane-1-carboxamide is sourced from PubChem (CID 119699629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).