(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine

C9H18N4 — CID 112593519

IUPAC(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCc1nnc(CN)n1CC
InChIInChI=1S/C9H18N4/c1-3-5-6-8-11-12-9(7-10)13(8)4-2/h3-7,10H2,1-2H3
InChIKeyYDTOCUKEAIECPY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.10
Rot. Bonds5

About (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine

(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 112593519) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
PubChem CID112593519
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
SMILESCCCCc1nnc(CN)n1CC
InChIInChI=1S/C9H18N4/c1-3-5-6-8-11-12-9(7-10)13(8)4-2/h3-7,10H2,1-2H3
InChIKeyYDTOCUKEAIECPY-UHFFFAOYSA-N
XLogP1.10
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpropyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112594055
(3,5-dipentyl-1,2,4-triazol-4-yl)methanamine
CID 126601317
3-(chloromethyl)-4-ethyl-5-pentyl-1,2,4-triazole
CID 115398076
[4-(2-methoxyethyl)-5-pentyl-1,2,4-triazol-3-yl]methanamine
CID 112592767
(3,5-didecyl-1,2,4-triazol-4-yl)methanamine
CID 126601324
3-(bromomethyl)-4-ethyl-5-hexyl-1,2,4-triazole
CID 114754363
3-(chloromethyl)-4-ethyl-5-nonyl-1,2,4-triazole
CID 113302063
(5-hexyl-4-methyl-1,2,4-triazol-3-yl)methanamine
CID 114754387
[4-ethyl-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103213774
(5-butyl-4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 112592719
(5-tert-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine
CID 112593472
(5-heptyl-4-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112592993

Frequently Asked Questions

What is the IUPAC name of (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine (CID 112593519) is (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine is CCCCc1nnc(CN)n1CC.
What is the InChIKey of (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is YDTOCUKEAIECPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-3-5-6-8-11-12-9(7-10)13(8)4-2/h3-7,10H2,1-2H3.
What are the key properties of (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine?
(5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 182.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-4-ethyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 112593519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).