1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea

C12H17N7O — CID 125162292

IUPAC1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
SMILESCn1cc(NC(=O)N[C@@H](c2nccn2C)C2CC2)nn1
InChIInChI=1S/C12H17N7O/c1-18-6-5-13-11(18)10(8-3-4-8)15-12(20)14-9-7-19(2)17-16-9/h5-8,10H,3-4H2,1-2H3,(H2,14,15,20)/t10-/m1/s1
InChIKeyKZTSPJYTDSRHQX-SNVBAGLBSA-N
MW275.32 g/mol
LogP0.82
Rot. Bonds4

About 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea

1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea (PubChem CID 125162292) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
PubChem CID125162292
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea
SMILESCn1cc(NC(=O)N[C@@H](c2nccn2C)C2CC2)nn1
InChIInChI=1S/C12H17N7O/c1-18-6-5-13-11(18)10(8-3-4-8)15-12(20)14-9-7-19(2)17-16-9/h5-8,10H,3-4H2,1-2H3,(H2,14,15,20)/t10-/m1/s1
InChIKeyKZTSPJYTDSRHQX-SNVBAGLBSA-N
XLogP0.82
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[4-(5-methyltetrazol-1-yl)phenyl]urea
CID 118793287
1-(3-chloro-2-fluorophenyl)-3-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 97282292
N-[3-[[cyclopropyl-(1-methylimidazol-2-yl)methyl]carbamoylamino]phenyl]cyclopentanecarboxamide
CID 72934817
1-(4-chloro-2-ethylphenyl)-3-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]urea
CID 126450388
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 125172198
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 122566824
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 125159632
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
2-methyl-N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]propanamide
CID 129487092

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea?
The IUPAC name of 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea (CID 125162292) is 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea is Cn1cc(NC(=O)N[C@@H](c2nccn2C)C2CC2)nn1.
What is the InChIKey of 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea?
The InChIKey is KZTSPJYTDSRHQX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N7O/c1-18-6-5-13-11(18)10(8-3-4-8)15-12(20)14-9-7-19(2)17-16-9/h5-8,10H,3-4H2,1-2H3,(H2,14,15,20)/t10-/m1/s1.
What are the key properties of 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea?
1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea has a molecular weight of 275.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(1-methyltriazol-4-yl)urea is sourced from PubChem (CID 125162292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).