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

C10H20N4 — CID 62694477

IUPAC2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1cnnc1CCC(C)(C)N
InChIInChI=1S/C10H20N4/c1-4-7-14-8-12-13-9(14)5-6-10(2,3)11/h8H,4-7,11H2,1-3H3
InChIKeyVRSCNIRJMKEDOL-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.36
Rot. Bonds5

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

2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 62694477) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID62694477
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCCn1cnnc1CCC(C)(C)N
InChIInChI=1S/C10H20N4/c1-4-7-14-8-12-13-9(14)5-6-10(2,3)11/h8H,4-7,11H2,1-3H3
InChIKeyVRSCNIRJMKEDOL-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine
CID 62709369
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
3-(2-cyclohexylethyl)-4-propyl-1,2,4-triazole
CID 115395107
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
3-(2-fluoropropan-2-yl)-4-propyl-1,2,4-triazole
CID 130561805
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
1-cyclopropyl-1-(4-propyl-1,2,4-triazol-3-yl)ethanamine
CID 64667693

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine (CID 62694477) is 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine is CCCn1cnnc1CCC(C)(C)N.
What is the InChIKey of 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is VRSCNIRJMKEDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-7-14-8-12-13-9(14)5-6-10(2,3)11/h8H,4-7,11H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine?
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 196.30 g/mol, XLogP of 1.36, 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-propyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 62694477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).