[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate

C14H16N4O2 — CID 155190714

IUPAC[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate
SMILESCn1cnnc1CC1(c2cccc(OC(N)=O)c2)CC1
InChIInChI=1S/C14H16N4O2/c1-18-9-16-17-12(18)8-14(5-6-14)10-3-2-4-11(7-10)20-13(15)19/h2-4,7,9H,5-6,8H2,1H3,(H2,15,19)
InChIKeyQEFWNPUXIWNVJX-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.55
Rot. Bonds4

About [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate

[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate (PubChem CID 155190714) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate.

Molecular Properties

Compound Name[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate
PubChem CID155190714
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate
SMILESCn1cnnc1CC1(c2cccc(OC(N)=O)c2)CC1
InChIInChI=1S/C14H16N4O2/c1-18-9-16-17-12(18)8-14(5-6-14)10-3-2-4-11(7-10)20-13(15)19/h2-4,7,9H,5-6,8H2,1H3,(H2,15,19)
InChIKeyQEFWNPUXIWNVJX-UHFFFAOYSA-N
XLogP1.55
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate?
The IUPAC name of [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate (CID 155190714) is [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate.
What is the SMILES notation for [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate?
The canonical SMILES for [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate is Cn1cnnc1CC1(c2cccc(OC(N)=O)c2)CC1.
What is the InChIKey of [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate?
The InChIKey is QEFWNPUXIWNVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-9-16-17-12(18)8-14(5-6-14)10-3-2-4-11(7-10)20-13(15)19/h2-4,7,9H,5-6,8H2,1H3,(H2,15,19).
What are the key properties of [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate?
[3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate has a molecular weight of 272.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]phenyl] carbamate is sourced from PubChem (CID 155190714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).