N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine

C14H19N5 — CID 9311708

IUPACN-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESC[C@H]1CCCC[C@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C14H19N5/c1-11-7-5-6-10-13(11)15-14-16-17-18-19(14)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,15,16,18)/t11-,13+/m0/s1
InChIKeyQXVHBNKPZPSWGP-WCQYABFASA-N
MW257.34 g/mol
LogP2.65
Rot. Bonds3

About N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine

N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine (PubChem CID 9311708) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
PubChem CID9311708
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
SMILESC[C@H]1CCCC[C@H]1Nc1nnnn1-c1ccccc1
InChIInChI=1S/C14H19N5/c1-11-7-5-6-10-13(11)15-14-16-17-18-19(14)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,15,16,18)/t11-,13+/m0/s1
InChIKeyQXVHBNKPZPSWGP-WCQYABFASA-N
XLogP2.65
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-1-phenyltetrazol-5-amine
CID 11938976
[2-[(1-phenyltetrazol-5-yl)amino]cyclohexyl]methanol
CID 106362209
1-N-methyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79110566
1-methyl-N-(2-methylcyclohexyl)tetrazol-5-amine
CID 61225669
N-(2-methyloxan-4-yl)-1-phenyltetrazol-5-amine
CID 103889207
N-(3-methoxycyclobutyl)-1-phenyltetrazol-5-amine
CID 113428720
(2R,3S,4S)-2-(hydroxymethyl)-4-[(1-phenyltetrazol-5-yl)amino]oxan-3-ol
CID 154817090
N-[(2-aminocyclohexyl)methyl]-1-phenyltetrazol-5-amine
CID 64927678
N-[1-(aminomethyl)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine
CID 115309042
1-methyl-5-[(1-phenyltetrazol-5-yl)amino]piperidin-2-one
CID 64670207
N-(1,1-dioxothiolan-3-yl)-1-phenyltetrazol-5-amine
CID 43078771
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 11915021

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine (CID 9311708) is N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine is C[C@H]1CCCC[C@H]1Nc1nnnn1-c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
The InChIKey is QXVHBNKPZPSWGP-WCQYABFASA-N. The full InChI is InChI=1S/C14H19N5/c1-11-7-5-6-10-13(11)15-14-16-17-18-19(14)12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H,15,16,18)/t11-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine?
N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine has a molecular weight of 257.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9311708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).