propyl N-(2H-benzotriazol-5-yl)carbamate

C10H12N4O2 — CID 135188444

IUPACpropyl N-(2H-benzotriazol-5-yl)carbamate
SMILESCCCOC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-2-5-16-10(15)11-7-3-4-8-9(6-7)13-14-12-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyAQAHEIWHYAQWBJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.92
Rot. Bonds3

About propyl N-(2H-benzotriazol-5-yl)carbamate

propyl N-(2H-benzotriazol-5-yl)carbamate (PubChem CID 135188444) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is propyl N-(2H-benzotriazol-5-yl)carbamate.

Molecular Properties

Compound Namepropyl N-(2H-benzotriazol-5-yl)carbamate
PubChem CID135188444
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namepropyl N-(2H-benzotriazol-5-yl)carbamate
SMILESCCCOC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C10H12N4O2/c1-2-5-16-10(15)11-7-3-4-8-9(6-7)13-14-12-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13,14)
InChIKeyAQAHEIWHYAQWBJ-UHFFFAOYSA-N
XLogP1.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamate
CID 71295982
2-amino-N-(2H-benzotriazol-5-yl)pentanamide;hydrochloride
CID 119280138
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
propyl N-(3-bromophenyl)carbamate
CID 19165876
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
(2S)-2-amino-N-(2H-benzotriazol-5-yl)-3,3-dimethylbutanamide
CID 119706416
propyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309364
propyl N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]carbamate
CID 112738643
propyl 3-(butoxycarbonylamino)benzoate
CID 19172785
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627
2-hydroxyethyl N-(3,4-dipropoxyphenyl)carbamate
CID 79342252

Frequently Asked Questions

What is the IUPAC name of propyl N-(2H-benzotriazol-5-yl)carbamate?
The IUPAC name of propyl N-(2H-benzotriazol-5-yl)carbamate (CID 135188444) is propyl N-(2H-benzotriazol-5-yl)carbamate.
What is the SMILES notation for propyl N-(2H-benzotriazol-5-yl)carbamate?
The canonical SMILES for propyl N-(2H-benzotriazol-5-yl)carbamate is CCCOC(=O)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of propyl N-(2H-benzotriazol-5-yl)carbamate?
The InChIKey is AQAHEIWHYAQWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-5-16-10(15)11-7-3-4-8-9(6-7)13-14-12-8/h3-4,6H,2,5H2,1H3,(H,11,15)(H,12,13,14).
What are the key properties of propyl N-(2H-benzotriazol-5-yl)carbamate?
propyl N-(2H-benzotriazol-5-yl)carbamate has a molecular weight of 220.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(2H-benzotriazol-5-yl)carbamate is sourced from PubChem (CID 135188444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).