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

C7H14N4 — CID 90951049

IUPACN-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(C)Cc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-6(2)11(3)5-7-4-8-10-9-7/h4,6H,5H2,1-3H3,(H,8,9,10)
InChIKeyJEEPQTHUVHZAMB-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.64
Rot. Bonds3

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

N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (PubChem CID 90951049) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
PubChem CID90951049
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC NameN-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)N(C)Cc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-6(2)11(3)5-7-4-8-10-9-7/h4,6H,5H2,1-3H3,(H,8,9,10)
InChIKeyJEEPQTHUVHZAMB-UHFFFAOYSA-N
XLogP0.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The IUPAC name of N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (CID 90951049) is N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is CC(C)N(C)Cc1cn[nH]n1.
What is the InChIKey of N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The InChIKey is JEEPQTHUVHZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6(2)11(3)5-7-4-8-10-9-7/h4,6H,5H2,1-3H3,(H,8,9,10).
What are the key properties of N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 90951049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).