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

C11H22N4 — CID 82013503

IUPAC2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXUZMEKRNLHWCDX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds5

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

2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 82013503) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID82013503
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCc1nnc(CCC(C)CN)n1C(C)C
InChIInChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3
InChIKeyXUZMEKRNLHWCDX-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
2-methyl-1-(5H,6H,7H-pyrrolo(2,1-c)(1,2,4)triazol-3-yl)propan-1-amine
CID 43142798
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(3,5-Dimethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 44721353
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-ethyl-3-(pyrrolidin-3-ylmethyl)-4H-1,2,4-triazole
CID 65979590
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine (CID 82013503) is 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is Cc1nnc(CCC(C)CN)n1C(C)C.
What is the InChIKey of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is XUZMEKRNLHWCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)15-10(4)13-14-11(15)6-5-9(3)7-12/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine?
2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 82013503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).