ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate

C15H20N4O3 — CID 122155317

IUPACethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
SMILESCCCn1ncnc1COc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C15H20N4O3/c1-3-9-19-14(16-11-17-19)10-22-13-7-5-12(6-8-13)18-15(20)21-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyJAIAPSZGORMEIP-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.84
Rot. Bonds7

About ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate

ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate (PubChem CID 122155317) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
PubChem CID122155317
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate
SMILESCCCn1ncnc1COc1ccc(NC(=O)OCC)cc1
InChIInChI=1S/C15H20N4O3/c1-3-9-19-14(16-11-17-19)10-22-13-7-5-12(6-8-13)18-15(20)21-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyJAIAPSZGORMEIP-UHFFFAOYSA-N
XLogP2.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
4-[(4-butoxyphenyl)carbamoyloxy]butyl N-(4-butoxyphenyl)carbamate
CID 122381911
ethyl N-[4-(2,2,2-trifluoroethoxy)phenyl]carbamate
CID 60705257
4-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63771178
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
ethyl N-[4-[(3-fluorophenyl)methoxy]phenyl]carbamate
CID 110359980
3-amino-2-[(2-propyl-1,2,4-triazol-3-yl)methoxy]benzamide
CID 107873570
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
propyl N-(4-phenylmethoxyphenyl)carbamate
CID 19169909
bis(ethyl N-(4-ethoxyphenyl)carbamate);octa-3,5-diyne-1,8-diol
CID 160807108

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate (CID 122155317) is ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate is CCCn1ncnc1COc1ccc(NC(=O)OCC)cc1.
What is the InChIKey of ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate?
The InChIKey is JAIAPSZGORMEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-9-19-14(16-11-17-19)10-22-13-7-5-12(6-8-13)18-15(20)21-4-2/h5-8,11H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate?
ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-propyl-1,2,4-triazol-3-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 122155317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).