[3-(3-methylbutyl)triazol-4-yl]methanamine

C8H16N4 — CID 82208466

IUPAC[3-(3-methylbutyl)triazol-4-yl]methanamine
SMILESCC(C)CCn1nncc1CN
InChIInChI=1S/C8H16N4/c1-7(2)3-4-12-8(5-9)6-10-11-12/h6-7H,3-5,9H2,1-2H3
InChIKeyKRWYMIPOLMNRAZ-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.78
Rot. Bonds4

About [3-(3-methylbutyl)triazol-4-yl]methanamine

[3-(3-methylbutyl)triazol-4-yl]methanamine (PubChem CID 82208466) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is [3-(3-methylbutyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methylbutyl)triazol-4-yl]methanamine
PubChem CID82208466
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name[3-(3-methylbutyl)triazol-4-yl]methanamine
SMILESCC(C)CCn1nncc1CN
InChIInChI=1S/C8H16N4/c1-7(2)3-4-12-8(5-9)6-10-11-12/h6-7H,3-5,9H2,1-2H3
InChIKeyKRWYMIPOLMNRAZ-UHFFFAOYSA-N
XLogP0.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-bis(3-methylbutyl)triazole
CID 122630242
5-(3-methylbutyl)-1-(8-methylnonyl)triazole
CID 59827215
1-(9-methyldecyl)-5-(4-methylpentyl)triazole
CID 121260609
1-(7-methyloctyl)-5-(4-methylpentyl)triazole
CID 59827225
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(1-(3-methylbutyl)-5-(8-methylnonyl)triazole);bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159044207
1,5-bis(4-methylpentyl)triazole;bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 159157538
1-(3,4-dimethylpentyl)-5-(6-methylheptyl)triazole
CID 130380893
methane;bis(1-(6-methylheptyl)-5-(2-methylpropyl)triazole)
CID 160506972
4-[5-(3-methylbutyl)triazol-1-yl]butane-1-thiol
CID 139426893
bis(1,5-bis(4-methylpentyl)triazole);bis(1-(3-methylbutyl)-5-(5-methylhexyl)triazole);bis(5-(3-methylbutyl)-1-(5-methylhexyl)triazole);1-(3-methylbutyl)-5-(8-methylnonyl)triazole;bis(5-(6-methylheptyl)-1-(2-methylpropyl)triazole)
CID 158745845
5-butyl-1-(7-methyloctyl)triazole
CID 69281455
4-(3-propyltriazol-4-yl)butan-2-amine
CID 114690307

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)triazol-4-yl]methanamine?
The IUPAC name of [3-(3-methylbutyl)triazol-4-yl]methanamine (CID 82208466) is [3-(3-methylbutyl)triazol-4-yl]methanamine.
What is the SMILES notation for [3-(3-methylbutyl)triazol-4-yl]methanamine?
The canonical SMILES for [3-(3-methylbutyl)triazol-4-yl]methanamine is CC(C)CCn1nncc1CN.
What is the InChIKey of [3-(3-methylbutyl)triazol-4-yl]methanamine?
The InChIKey is KRWYMIPOLMNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-7(2)3-4-12-8(5-9)6-10-11-12/h6-7H,3-5,9H2,1-2H3.
What are the key properties of [3-(3-methylbutyl)triazol-4-yl]methanamine?
[3-(3-methylbutyl)triazol-4-yl]methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82208466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).