benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate

C14H15N3O2 — CID 126754002

IUPACbenzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate
SMILESCn1cc(C2CC2C(=O)OCc2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-17-8-13(15-16-17)11-7-12(11)14(18)19-9-10-5-3-2-4-6-10/h2-6,8,11-12H,7,9H2,1H3
InChIKeyQEFMZCKFFFSEDC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.66
Rot. Bonds4

About benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate

benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate (PubChem CID 126754002) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate
PubChem CID126754002
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namebenzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate
SMILESCn1cc(C2CC2C(=O)OCc2ccccc2)nn1
InChIInChI=1S/C14H15N3O2/c1-17-8-13(15-16-17)11-7-12(11)14(18)19-9-10-5-3-2-4-6-10/h2-6,8,11-12H,7,9H2,1H3
InChIKeyQEFMZCKFFFSEDC-UHFFFAOYSA-N
XLogP1.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylic acid
CID 70818190
3-[2-(1-methyltriazol-4-yl)cyclopropyl]-3-oxopropanal
CID 129023893
benzyl 2-hydroxycyclobutane-1-carboxylate
CID 174627275
cis-(1R,2S)-2-phenylmethoxycarbonylcyclopropane-1-carboxylate
CID 154728884
2-O-benzyl 1-O-methyl (1R,2R,4R)-4-methoxycyclopentane-1,2-dicarboxylate
CID 153256212
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393
benzyl 2-(1,1-difluoroethyl)cyclopropane-1-carboxylate
CID 175348269
benzyl (1S,2S,4R)-4-ethyl-2-methylcyclohexane-1-carboxylate
CID 58431277
benzyl 3-methyl-2H-azirine-2-carboxylate
CID 121219236
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
trans-ethyl (1R,2R)-2-pyridin-2-ylcyclopropane-1-carboxylate
CID 66837013
cis-benzyl (1S,2R)-2-aminocyclopentane-1-carboxylate;hydrochloride
CID 163396077

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate?
The IUPAC name of benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate (CID 126754002) is benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate?
The canonical SMILES for benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate is Cn1cc(C2CC2C(=O)OCc2ccccc2)nn1.
What is the InChIKey of benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate?
The InChIKey is QEFMZCKFFFSEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-8-13(15-16-17)11-7-12(11)14(18)19-9-10-5-3-2-4-6-10/h2-6,8,11-12H,7,9H2,1H3.
What are the key properties of benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate?
benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(1-methyltriazol-4-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 126754002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).