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

C8H16N4 — CID 82468057

IUPAC[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cc1nc(CN)nn1C
InChIInChI=1S/C8H16N4/c1-6(2)4-8-10-7(5-9)11-12(8)3/h6H,4-5,9H2,1-3H3
InChIKeyRQZYNZXPNUACFO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.47
Rot. Bonds3

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

[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82468057) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82468057
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC(C)Cc1nc(CN)nn1C
InChIInChI=1S/C8H16N4/c1-6(2)4-8-10-7(5-9)11-12(8)3/h6H,4-5,9H2,1-3H3
InChIKeyRQZYNZXPNUACFO-UHFFFAOYSA-N
XLogP0.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475262
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
[5-[2-(4-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662791
2-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 82467863
4-methyl-N-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]aniline
CID 62722337
[5-[(3-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82475274
[5-(2-methylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593728
[5-[2-(3-methoxyphenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96662789
[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487227
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644
3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
CID 55111099
6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62722491

Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine (CID 82468057) is [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is CC(C)Cc1nc(CN)nn1C.
What is the InChIKey of [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is RQZYNZXPNUACFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-6(2)4-8-10-7(5-9)11-12(8)3/h6H,4-5,9H2,1-3H3.
What are the key properties of [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine?
[1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82468057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).