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

C7H14N4 — CID 61317527

IUPAC2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-7(2,3)8-4-6-5-9-11-10-6/h5,8H,4H2,1-3H3,(H,9,10,11)
InChIKeyVOVRWGSILIBZHP-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.69
Rot. Bonds2

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

2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (PubChem CID 61317527) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
PubChem CID61317527
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine
SMILESCC(C)(C)NCc1cn[nH]n1
InChIInChI=1S/C7H14N4/c1-7(2,3)8-4-6-5-9-11-10-6/h5,8H,4H2,1-3H3,(H,9,10,11)
InChIKeyVOVRWGSILIBZHP-UHFFFAOYSA-N
XLogP0.69
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine (CID 61317527) is 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is CC(C)(C)NCc1cn[nH]n1.
What is the InChIKey of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
The InChIKey is VOVRWGSILIBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-7(2,3)8-4-6-5-9-11-10-6/h5,8H,4H2,1-3H3,(H,9,10,11).
What are the key properties of 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine?
2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-triazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 61317527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).