2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine

C10H20N4 — CID 64670523

IUPAC2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1c(C)nnc1CC(C)(C)N
InChIInChI=1S/C10H20N4/c1-5-6-14-8(2)12-13-9(14)7-10(3,4)11/h5-7,11H2,1-4H3
InChIKeyGVFBTPQFAPFXCK-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.28
Rot. Bonds4

About 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine

2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 64670523) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID64670523
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1c(C)nnc1CC(C)(C)N
InChIInChI=1S/C10H20N4/c1-5-6-14-8(2)12-13-9(14)7-10(3,4)11/h5-7,11H2,1-4H3
InChIKeyGVFBTPQFAPFXCK-UHFFFAOYSA-N
XLogP1.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 64670523) is 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1c(C)nnc1CC(C)(C)N.
What is the InChIKey of 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is GVFBTPQFAPFXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-6-14-8(2)12-13-9(14)7-10(3,4)11/h5-7,11H2,1-4H3.
What are the key properties of 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine?
2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 64670523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).