3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

C16H23N7O2 — CID 166330041

IUPAC3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1[nH]ncc1CCCN1C(=O)NC(Cc2cn(C(C)C)nn2)C1=O
InChIInChI=1S/C16H23N7O2/c1-10(2)23-9-13(20-21-23)7-14-15(24)22(16(25)18-14)6-4-5-12-8-17-19-11(12)3/h8-10,14H,4-7H2,1-3H3,(H,17,19)(H,18,25)
InChIKeyZYGDNKMIYLTLJM-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.99
Rot. Bonds7

About 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione

3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 166330041) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
PubChem CID166330041
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione
SMILESCc1[nH]ncc1CCCN1C(=O)NC(Cc2cn(C(C)C)nn2)C1=O
InChIInChI=1S/C16H23N7O2/c1-10(2)23-9-13(20-21-23)7-14-15(24)22(16(25)18-14)6-4-5-12-8-17-19-11(12)3/h8-10,14H,4-7H2,1-3H3,(H,17,19)(H,18,25)
InChIKeyZYGDNKMIYLTLJM-UHFFFAOYSA-N
XLogP0.99
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione (CID 166330041) is 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1[nH]ncc1CCCN1C(=O)NC(Cc2cn(C(C)C)nn2)C1=O.
What is the InChIKey of 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is ZYGDNKMIYLTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-10(2)23-9-13(20-21-23)7-14-15(24)22(16(25)18-14)6-4-5-12-8-17-19-11(12)3/h8-10,14H,4-7H2,1-3H3,(H,17,19)(H,18,25).
What are the key properties of 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione?
3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 345.41 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-5-[(1-propan-2-yltriazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166330041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).