2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone

C10H13N5O — CID 79744288

IUPAC2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ncn[nH]1
InChIInChI=1S/C10H13N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyAPKVRGXNZVQVQL-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.84
Rot. Bonds5

About 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone

2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone (PubChem CID 79744288) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
PubChem CID79744288
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone
SMILESCCCn1ccnc1CC(=O)c1ncn[nH]1
InChIInChI=1S/C10H13N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,12,13,14)
InChIKeyAPKVRGXNZVQVQL-UHFFFAOYSA-N
XLogP0.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 114529531
(E)-1-(1-propylimidazol-2-yl)pent-3-en-2-one
CID 103453243
3-hydroxy-1-(1-propylimidazol-2-yl)pentan-2-one
CID 103452891
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
3-amino-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116584036
1-(2,3-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784740
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791
1-butan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744286
5-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116594917
4-amino-3-methyl-1-(1-propylimidazol-2-yl)pentan-2-one
CID 116612267
4-(dimethylamino)-1-(1-propylimidazol-2-yl)butan-2-one
CID 115345722
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The IUPAC name of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone (CID 79744288) is 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone.
What is the SMILES notation for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The canonical SMILES for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone is CCCn1ccnc1CC(=O)c1ncn[nH]1.
What is the InChIKey of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
The InChIKey is APKVRGXNZVQVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-4-15-5-3-11-9(15)6-8(16)10-12-7-13-14-10/h3,5,7H,2,4,6H2,1H3,(H,12,13,14).
What are the key properties of 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone?
2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone has a molecular weight of 219.25 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethanone is sourced from PubChem (CID 79744288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).