N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine

C13H18N4 — CID 100765983

IUPACN-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cn[nH]n1
InChIInChI=1S/C13H18N4/c1-11(2)17(10-13-8-14-16-15-13)9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,14,15,16)
InChIKeyDFLYZOWSYJNNPG-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.22
Rot. Bonds5

About N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine

N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (PubChem CID 100765983) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
PubChem CID100765983
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccccc1)Cc1cn[nH]n1
InChIInChI=1S/C13H18N4/c1-11(2)17(10-13-8-14-16-15-13)9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,14,15,16)
InChIKeyDFLYZOWSYJNNPG-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (CID 100765983) is N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is CC(C)N(Cc1ccccc1)Cc1cn[nH]n1.
What is the InChIKey of N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The InChIKey is DFLYZOWSYJNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-11(2)17(10-13-8-14-16-15-13)9-12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 100765983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).