N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C14H20N6O — CID 125443784

IUPACN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)N[C@H](c1nccn1C)C1CC1
InChIInChI=1S/C14H20N6O/c1-19-8-7-15-14(19)13(10-3-4-10)17-12(21)6-5-11-18-16-9-20(11)2/h7-10,13H,3-6H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyPUOJYXIZTYEOSA-ZDUSSCGKSA-N
MW288.36 g/mol
LogP0.75
Rot. Bonds6

About N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 125443784) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID125443784
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnnc1CCC(=O)N[C@H](c1nccn1C)C1CC1
InChIInChI=1S/C14H20N6O/c1-19-8-7-15-14(19)13(10-3-4-10)17-12(21)6-5-11-18-16-9-20(11)2/h7-10,13H,3-6H2,1-2H3,(H,17,21)/t13-/m0/s1
InChIKeyPUOJYXIZTYEOSA-ZDUSSCGKSA-N
XLogP0.75
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 125443784) is N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is Cn1cnnc1CCC(=O)N[C@H](c1nccn1C)C1CC1.
What is the InChIKey of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is PUOJYXIZTYEOSA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-8-7-15-14(19)13(10-3-4-10)17-12(21)6-5-11-18-16-9-20(11)2/h7-10,13H,3-6H2,1-2H3,(H,17,21)/t13-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 288.36 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 125443784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).