[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine

C10H20N4 — CID 118905737

IUPAC[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1nnc(CN)n1CCCC(C)C
InChIInChI=1S/C10H20N4/c1-8(2)5-4-6-14-9(3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3
InChIKeyBFACVJOYPCAQFS-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.48
Rot. Bonds5

About [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine

[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 118905737) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID118905737
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1nnc(CN)n1CCCC(C)C
InChIInChI=1S/C10H20N4/c1-8(2)5-4-6-14-9(3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3
InChIKeyBFACVJOYPCAQFS-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-yl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-amine
CID 50986550
3-((dimethyl-1H-1,2,4-triazol-1-yl)methyl)piperidine
CID 54592625
1-methyl-4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidine
CID 70721637
[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]methyl(3-piperidinylmethyl)amine dihydrochloride
CID 70768653
(5-cyclobutyl-4-methyl-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 75480562
(3-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyridin-6-yl)methanamine
CID 83678785
[3-methyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)butyl]amine dihydrochloride
CID 56722252
3-(2-methylpropyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 56828813
[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)methyl](methyl)amine
CID 56828111
2-cyclopentyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylethanamine
CID 71999747
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-(3-methylcyclohexyl)ethanamine
CID 75444884
(cis-3-{4-ethyl-5-[(4-fluoropiperidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}cyclobutyl)amine
CID 91770191

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine (CID 118905737) is [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine is Cc1nnc(CN)n1CCCC(C)C.
What is the InChIKey of [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BFACVJOYPCAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)5-4-6-14-9(3)12-13-10(14)7-11/h8H,4-7,11H2,1-3H3.
What are the key properties of [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine?
[5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 196.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4-methylpentyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 118905737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).