(1-butyl-5-propyltriazol-4-yl)methanamine

C10H20N4 — CID 82205490

IUPAC(1-butyl-5-propyltriazol-4-yl)methanamine
SMILESCCCCn1nnc(CN)c1CCC
InChIInChI=1S/C10H20N4/c1-3-5-7-14-10(6-4-2)9(8-11)12-13-14/h3-8,11H2,1-2H3
InChIKeyXHIVJEGSVPQDBL-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.49
Rot. Bonds6

About (1-butyl-5-propyltriazol-4-yl)methanamine

(1-butyl-5-propyltriazol-4-yl)methanamine (PubChem CID 82205490) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is (1-butyl-5-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-butyl-5-propyltriazol-4-yl)methanamine
PubChem CID82205490
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name(1-butyl-5-propyltriazol-4-yl)methanamine
SMILESCCCCn1nnc(CN)c1CCC
InChIInChI=1S/C10H20N4/c1-3-5-7-14-10(6-4-2)9(8-11)12-13-14/h3-8,11H2,1-2H3
InChIKeyXHIVJEGSVPQDBL-UHFFFAOYSA-N
XLogP1.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-propyltriazol-4-yl)methanamine?
The IUPAC name of (1-butyl-5-propyltriazol-4-yl)methanamine (CID 82205490) is (1-butyl-5-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-butyl-5-propyltriazol-4-yl)methanamine?
The canonical SMILES for (1-butyl-5-propyltriazol-4-yl)methanamine is CCCCn1nnc(CN)c1CCC.
What is the InChIKey of (1-butyl-5-propyltriazol-4-yl)methanamine?
The InChIKey is XHIVJEGSVPQDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-5-7-14-10(6-4-2)9(8-11)12-13-14/h3-8,11H2,1-2H3.
What are the key properties of (1-butyl-5-propyltriazol-4-yl)methanamine?
(1-butyl-5-propyltriazol-4-yl)methanamine has a molecular weight of 196.30 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 82205490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).