benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate

C17H24N4O2 — CID 123760520

IUPACbenzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate
SMILESCC1=NNCN1C1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N4O2/c1-13-20-18-12-21(13)16-9-5-8-15(10-16)19-17(22)23-11-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,19,22)
InChIKeySUONUJGPBLRDAX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.42
Rot. Bonds4

About benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate

benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate (PubChem CID 123760520) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate
PubChem CID123760520
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Namebenzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate
SMILESCC1=NNCN1C1CCCC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N4O2/c1-13-20-18-12-21(13)16-9-5-8-15(10-16)19-17(22)23-11-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,19,22)
InChIKeySUONUJGPBLRDAX-UHFFFAOYSA-N
XLogP2.42
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(3-methylcyclohexyl)carbamate
CID 67989254
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(1-cyclopropyl-5-methylpiperidin-3-yl)carbamate
CID 112545058
benzyl 3-(phenylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171936899
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate?
The IUPAC name of benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate (CID 123760520) is benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate is CC1=NNCN1C1CCCC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate?
The InChIKey is SUONUJGPBLRDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-20-18-12-21(13)16-9-5-8-15(10-16)19-17(22)23-11-14-6-3-2-4-7-14/h2-4,6-7,15-16,18H,5,8-12H2,1H3,(H,19,22).
What are the key properties of benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate?
benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-methyl-1,5-dihydro-1,2,4-triazol-4-yl)cyclohexyl]carbamate is sourced from PubChem (CID 123760520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).