1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole

C9H13N5 — CID 66152850

IUPAC1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole
SMILESCCCn1cncc1Cn1cncn1
InChIInChI=1S/C9H13N5/c1-2-3-13-7-10-4-9(13)5-14-8-11-6-12-14/h4,6-8H,2-3,5H2,1H3
InChIKeyHOWMRWFUKXKMHG-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.93
Rot. Bonds4

About 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole

1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole (PubChem CID 66152850) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole
PubChem CID66152850
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole
SMILESCCCn1cncc1Cn1cncn1
InChIInChI=1S/C9H13N5/c1-2-3-13-7-10-4-9(13)5-14-8-11-6-12-14/h4,6-8H,2-3,5H2,1H3
InChIKeyHOWMRWFUKXKMHG-UHFFFAOYSA-N
XLogP0.93
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole (CID 66152850) is 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole is CCCn1cncc1Cn1cncn1.
What is the InChIKey of 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole?
The InChIKey is HOWMRWFUKXKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-3-13-7-10-4-9(13)5-14-8-11-6-12-14/h4,6-8H,2-3,5H2,1H3.
What are the key properties of 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole?
1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole has a molecular weight of 191.24 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propylimidazol-4-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 66152850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).