1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one

C9H12N6O — CID 107054436

IUPAC1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one
SMILESCn1nnc(Cn2ccn(C3CC3)c2=O)n1
InChIInChI=1S/C9H12N6O/c1-13-11-8(10-12-13)6-14-4-5-15(9(14)16)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyALXZXJZXKJNIGM-UHFFFAOYSA-N
MW220.24 g/mol
LogP-0.44
Rot. Bonds3

About 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one

1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one (PubChem CID 107054436) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one
PubChem CID107054436
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one
SMILESCn1nnc(Cn2ccn(C3CC3)c2=O)n1
InChIInChI=1S/C9H12N6O/c1-13-11-8(10-12-13)6-14-4-5-15(9(14)16)7-2-3-7/h4-5,7H,2-3,6H2,1H3
InChIKeyALXZXJZXKJNIGM-UHFFFAOYSA-N
XLogP-0.44
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one (CID 107054436) is 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one is Cn1nnc(Cn2ccn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one?
The InChIKey is ALXZXJZXKJNIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-13-11-8(10-12-13)6-14-4-5-15(9(14)16)7-2-3-7/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one?
1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one has a molecular weight of 220.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(2-methyltetrazol-5-yl)methyl]imidazol-2-one is sourced from PubChem (CID 107054436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).