trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide

C16H22N6O — CID 129445996

IUPACtrans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H22N6O/c1-11(18-14-10-6-5-9-13(14)15(17)23)16-19-20-21-22(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3,(H2,17,23)/t11-,13+,14+/m0/s1
InChIKeyHYXRTPCFXCKXOQ-IACUBPJLSA-N
MW314.39 g/mol
LogP1.36
Rot. Bonds5

About trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide

trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide (PubChem CID 129445996) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
PubChem CID129445996
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Nametrans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
SMILESC[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnnn1-c1ccccc1
InChIInChI=1S/C16H22N6O/c1-11(18-14-10-6-5-9-13(14)15(17)23)16-19-20-21-22(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3,(H2,17,23)/t11-,13+,14+/m0/s1
InChIKeyHYXRTPCFXCKXOQ-IACUBPJLSA-N
XLogP1.36
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-[1-(1-phenyltetrazol-5-yl)ethylamino]cyclohexane-1-carboxamide
CID 86803770
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120793976
cis-(1R,2S)-2-[[(1S)-1-(1,3-benzoxazol-2-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129429911
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
N-[1-(1-phenyltetrazol-5-yl)ethyl]propan-1-amine
CID 103710980
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 9311708
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide (CID 129445996) is trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide is C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)c1nnnn1-c1ccccc1.
What is the InChIKey of trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide?
The InChIKey is HYXRTPCFXCKXOQ-IACUBPJLSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11(18-14-10-6-5-9-13(14)15(17)23)16-19-20-21-22(16)12-7-3-2-4-8-12/h2-4,7-8,11,13-14,18H,5-6,9-10H2,1H3,(H2,17,23)/t11-,13+,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide?
trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129445996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).