1-methyl-1,2,4-triazole;N-propylpropan-1-amine

C9H20N4 — CID 130421562

IUPAC1-methyl-1,2,4-triazole;N-propylpropan-1-amine
SMILESCCCNCCC.Cn1cncn1
InChIInChI=1S/C6H15N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h7H,3-6H2,1-2H3;2-3H,1H3
InChIKeyIPXJJKCDTCOARJ-UHFFFAOYSA-N
MW184.29 g/mol
LogP1.21
Rot. Bonds4

About 1-methyl-1,2,4-triazole;N-propylpropan-1-amine

1-methyl-1,2,4-triazole;N-propylpropan-1-amine (PubChem CID 130421562) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-methyl-1,2,4-triazole;N-propylpropan-1-amine.

Molecular Properties

Compound Name1-methyl-1,2,4-triazole;N-propylpropan-1-amine
PubChem CID130421562
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-methyl-1,2,4-triazole;N-propylpropan-1-amine
SMILESCCCNCCC.Cn1cncn1
InChIInChI=1S/C6H15N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h7H,3-6H2,1-2H3;2-3H,1H3
InChIKeyIPXJJKCDTCOARJ-UHFFFAOYSA-N
XLogP1.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,4-triazole;N-propylpropan-1-amine?
The IUPAC name of 1-methyl-1,2,4-triazole;N-propylpropan-1-amine (CID 130421562) is 1-methyl-1,2,4-triazole;N-propylpropan-1-amine.
What is the SMILES notation for 1-methyl-1,2,4-triazole;N-propylpropan-1-amine?
The canonical SMILES for 1-methyl-1,2,4-triazole;N-propylpropan-1-amine is CCCNCCC.Cn1cncn1.
What is the InChIKey of 1-methyl-1,2,4-triazole;N-propylpropan-1-amine?
The InChIKey is IPXJJKCDTCOARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H5N3/c1-3-5-7-6-4-2;1-6-3-4-2-5-6/h7H,3-6H2,1-2H3;2-3H,1H3.
What are the key properties of 1-methyl-1,2,4-triazole;N-propylpropan-1-amine?
1-methyl-1,2,4-triazole;N-propylpropan-1-amine has a molecular weight of 184.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,4-triazole;N-propylpropan-1-amine is sourced from PubChem (CID 130421562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).