1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one

C10H13N5O — CID 116625290

IUPAC1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
SMILESCn1ncnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5O/c1-13-9(11-7-12-13)6-14-4-5-15(10(14)16)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNMQGIWPKHSPCFQ-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.16
Rot. Bonds3

About 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one

1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one (PubChem CID 116625290) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
PubChem CID116625290
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one
SMILESCn1ncnc1Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C10H13N5O/c1-13-9(11-7-12-13)6-14-4-5-15(10(14)16)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNMQGIWPKHSPCFQ-UHFFFAOYSA-N
XLogP0.16
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one (CID 116625290) is 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one is Cn1ncnc1Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
The InChIKey is NMQGIWPKHSPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-13-9(11-7-12-13)6-14-4-5-15(10(14)16)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one?
1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one has a molecular weight of 219.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-one is sourced from PubChem (CID 116625290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).