[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine

C11H20N4 — CID 114877746

IUPAC[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCC(C)Cc1nnc(CN)n1C1CC1
InChIInChI=1S/C11H20N4/c1-3-8(2)6-10-13-14-11(7-12)15(10)9-4-5-9/h8-9H,3-7,12H2,1-2H3
InChIKeyVEWLITAGTFXFPX-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.66
Rot. Bonds5

About [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 114877746) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID114877746
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCC(C)Cc1nnc(CN)n1C1CC1
InChIInChI=1S/C11H20N4/c1-3-8(2)6-10-13-14-11(7-12)15(10)9-4-5-9/h8-9H,3-7,12H2,1-2H3
InChIKeyVEWLITAGTFXFPX-UHFFFAOYSA-N
XLogP1.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
[4-cyclopropyl-5-(2-ethylbutylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 82927901
(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
CID 112593136
[4-cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593153
ethyl 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]butanoate
CID 64662764
1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine
CID 83879942
[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 115944058
4-cyclopropyl-5-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl fluoride
CID 165466296
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 112593149
[5-[(4-bromophenyl)methyl]-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 112593269
[4-cyclopropyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314947

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine (CID 114877746) is [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine is CCC(C)Cc1nnc(CN)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is VEWLITAGTFXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-8(2)6-10-13-14-11(7-12)15(10)9-4-5-9/h8-9H,3-7,12H2,1-2H3.
What are the key properties of [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 114877746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).