N-(2H-benzotriazol-4-ylmethyl)propan-1-amine

C10H14N4 — CID 69434998

IUPACN-(2H-benzotriazol-4-ylmethyl)propan-1-amine
SMILESCCCNCc1cccc2n[nH]nc12
InChIInChI=1S/C10H14N4/c1-2-6-11-7-8-4-3-5-9-10(8)13-14-12-9/h3-5,11H,2,6-7H2,1H3,(H,12,13,14)
InChIKeyJMPRISYOSAXIEJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.46
Rot. Bonds4

About N-(2H-benzotriazol-4-ylmethyl)propan-1-amine

N-(2H-benzotriazol-4-ylmethyl)propan-1-amine (PubChem CID 69434998) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(2H-benzotriazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2H-benzotriazol-4-ylmethyl)propan-1-amine
PubChem CID69434998
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-(2H-benzotriazol-4-ylmethyl)propan-1-amine
SMILESCCCNCc1cccc2n[nH]nc12
InChIInChI=1S/C10H14N4/c1-2-6-11-7-8-4-3-5-9-10(8)13-14-12-9/h3-5,11H,2,6-7H2,1H3,(H,12,13,14)
InChIKeyJMPRISYOSAXIEJ-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-4-ylmethyl)propan-1-amine?
The IUPAC name of N-(2H-benzotriazol-4-ylmethyl)propan-1-amine (CID 69434998) is N-(2H-benzotriazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2H-benzotriazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2H-benzotriazol-4-ylmethyl)propan-1-amine is CCCNCc1cccc2n[nH]nc12.
What is the InChIKey of N-(2H-benzotriazol-4-ylmethyl)propan-1-amine?
The InChIKey is JMPRISYOSAXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-6-11-7-8-4-3-5-9-10(8)13-14-12-9/h3-5,11H,2,6-7H2,1H3,(H,12,13,14).
What are the key properties of N-(2H-benzotriazol-4-ylmethyl)propan-1-amine?
N-(2H-benzotriazol-4-ylmethyl)propan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 69434998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).