N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine

C13H17N5 — CID 163710297

IUPACN-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine
SMILESc1cc2n[nH]nc2cc1NC1CC2(CCNC2)C1
InChIInChI=1S/C13H17N5/c1-2-11-12(17-18-16-11)5-9(1)15-10-6-13(7-10)3-4-14-8-13/h1-2,5,10,14-15H,3-4,6-8H2,(H,16,17,18)
InChIKeyKIQCICOTSUHWPD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.51
Rot. Bonds2

About N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine

N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine (PubChem CID 163710297) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine.

Molecular Properties

Compound NameN-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine
PubChem CID163710297
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine
SMILESc1cc2n[nH]nc2cc1NC1CC2(CCNC2)C1
InChIInChI=1S/C13H17N5/c1-2-11-12(17-18-16-11)5-9(1)15-10-6-13(7-10)3-4-14-8-13/h1-2,5,10,14-15H,3-4,6-8H2,(H,16,17,18)
InChIKeyKIQCICOTSUHWPD-UHFFFAOYSA-N
XLogP1.51
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine?
The IUPAC name of N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine (CID 163710297) is N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine.
What is the SMILES notation for N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine?
The canonical SMILES for N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine is c1cc2n[nH]nc2cc1NC1CC2(CCNC2)C1.
What is the InChIKey of N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine?
The InChIKey is KIQCICOTSUHWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-11-12(17-18-16-11)5-9(1)15-10-6-13(7-10)3-4-14-8-13/h1-2,5,10,14-15H,3-4,6-8H2,(H,16,17,18).
What are the key properties of N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine?
N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[3.4]octan-2-yl)-2H-benzotriazol-5-amine is sourced from PubChem (CID 163710297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).