(7-cyano-2H-benzotriazol-4-yl)urea

C8H6N6O — CID 66909157

IUPAC(7-cyano-2H-benzotriazol-4-yl)urea
SMILESN#Cc1ccc(NC(N)=O)c2n[nH]nc12
InChIInChI=1S/C8H6N6O/c9-3-4-1-2-5(11-8(10)15)7-6(4)12-14-13-7/h1-2H,(H3,10,11,15)(H,12,13,14)
InChIKeyMWJVROIWRHONIJ-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.32
Rot. Bonds1

About (7-cyano-2H-benzotriazol-4-yl)urea

(7-cyano-2H-benzotriazol-4-yl)urea (PubChem CID 66909157) has the molecular formula C8H6N6O and a molecular weight of 202.18 g/mol. Its IUPAC name is (7-cyano-2H-benzotriazol-4-yl)urea.

Molecular Properties

Compound Name(7-cyano-2H-benzotriazol-4-yl)urea
PubChem CID66909157
Molecular FormulaC8H6N6O
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Name(7-cyano-2H-benzotriazol-4-yl)urea
SMILESN#Cc1ccc(NC(N)=O)c2n[nH]nc12
InChIInChI=1S/C8H6N6O/c9-3-4-1-2-5(11-8(10)15)7-6(4)12-14-13-7/h1-2H,(H3,10,11,15)(H,12,13,14)
InChIKeyMWJVROIWRHONIJ-UHFFFAOYSA-N
XLogP0.32
TPSA120.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (7-cyano-2H-benzotriazol-4-yl)urea 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

(2-cyanophenyl)urea
CID 13155570
1-(2-bromophenyl)-1-(7-cyano-2H-benzotriazol-4-yl)urea
CID 70011510
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-(2H-benzotriazol-4-yl)-2-cyanoacetamide
CID 110470082
[2-(2-cyanophenyl)sulfanylphenyl]urea
CID 18663341
2-(4-cyano-2,3-difluoroanilino)ethylurea
CID 107934087
2-(2-cyanoanilino)ethylurea
CID 83111551
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
3-cyano-1H-pyrrole-2-carboxamide
CID 83668987
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415

Frequently Asked Questions

What is the IUPAC name of (7-cyano-2H-benzotriazol-4-yl)urea?
The IUPAC name of (7-cyano-2H-benzotriazol-4-yl)urea (CID 66909157) is (7-cyano-2H-benzotriazol-4-yl)urea.
What is the SMILES notation for (7-cyano-2H-benzotriazol-4-yl)urea?
The canonical SMILES for (7-cyano-2H-benzotriazol-4-yl)urea is N#Cc1ccc(NC(N)=O)c2n[nH]nc12.
What is the InChIKey of (7-cyano-2H-benzotriazol-4-yl)urea?
The InChIKey is MWJVROIWRHONIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6O/c9-3-4-1-2-5(11-8(10)15)7-6(4)12-14-13-7/h1-2H,(H3,10,11,15)(H,12,13,14).
What are the key properties of (7-cyano-2H-benzotriazol-4-yl)urea?
(7-cyano-2H-benzotriazol-4-yl)urea has a molecular weight of 202.18 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-cyano-2H-benzotriazol-4-yl)urea is sourced from PubChem (CID 66909157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).