N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine

C8H11N5 — CID 19094585

IUPACN'-(2H-benzotriazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1ccc2n[nH]nc2c1
InChIInChI=1S/C8H11N5/c9-3-4-10-6-1-2-7-8(5-6)12-13-11-7/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKeyCRIWQZNHVAJBJR-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.33
Rot. Bonds3

About N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine

N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine (PubChem CID 19094585) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2H-benzotriazol-5-yl)ethane-1,2-diamine
PubChem CID19094585
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC NameN'-(2H-benzotriazol-5-yl)ethane-1,2-diamine
SMILESNCCNc1ccc2n[nH]nc2c1
InChIInChI=1S/C8H11N5/c9-3-4-10-6-1-2-7-8(5-6)12-13-11-7/h1-2,5,10H,3-4,9H2,(H,11,12,13)
InChIKeyCRIWQZNHVAJBJR-UHFFFAOYSA-N
XLogP0.33
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine (CID 19094585) is N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine is NCCNc1ccc2n[nH]nc2c1.
What is the InChIKey of N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine?
The InChIKey is CRIWQZNHVAJBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-3-4-10-6-1-2-7-8(5-6)12-13-11-7/h1-2,5,10H,3-4,9H2,(H,11,12,13).
What are the key properties of N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine?
N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine has a molecular weight of 177.21 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2H-benzotriazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 19094585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).