2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine

C11H22N4 — CID 62709369

IUPAC2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
SMILESCC(C)Cn1cnnc1CCC(C)(C)N
InChIInChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-10(15)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyBTZQNEXYISMAHH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds5

About 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine

2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine (PubChem CID 62709369) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
PubChem CID62709369
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
SMILESCC(C)Cn1cnnc1CCC(C)(C)N
InChIInChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-10(15)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3
InChIKeyBTZQNEXYISMAHH-UHFFFAOYSA-N
XLogP1.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The IUPAC name of 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine (CID 62709369) is 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The canonical SMILES for 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine is CC(C)Cn1cnnc1CCC(C)(C)N.
What is the InChIKey of 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
The InChIKey is BTZQNEXYISMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-9(2)7-15-8-13-14-10(15)5-6-11(3,4)12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine?
2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine is sourced from PubChem (CID 62709369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).