N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

C16H17ClFN5O — CID 138996556

IUPACN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCn2cnnc2C1
InChIInChI=1S/C16H17ClFN5O/c17-13-7-11(18)1-2-12(13)16(3-4-16)9-19-15(24)22-5-6-23-10-20-21-14(23)8-22/h1-2,7,10H,3-6,8-9H2,(H,19,24)
InChIKeyGKUMDBBNPDJKJZ-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.33
Rot. Bonds3

About N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 138996556) has the molecular formula C16H17ClFN5O and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID138996556
Molecular FormulaC16H17ClFN5O
Molecular Weight349.80 g/mol
Exact Mass349.11
IUPAC NameN-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESO=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCn2cnnc2C1
InChIInChI=1S/C16H17ClFN5O/c17-13-7-11(18)1-2-12(13)16(3-4-16)9-19-15(24)22-5-6-23-10-20-21-14(23)8-22/h1-2,7,10H,3-6,8-9H2,(H,19,24)
InChIKeyGKUMDBBNPDJKJZ-UHFFFAOYSA-N
XLogP2.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 138996556) is N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is O=C(NCC1(c2ccc(F)cc2Cl)CC1)N1CCn2cnnc2C1.
What is the InChIKey of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is GKUMDBBNPDJKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O/c17-13-7-11(18)1-2-12(13)16(3-4-16)9-19-15(24)22-5-6-23-10-20-21-14(23)8-22/h1-2,7,10H,3-6,8-9H2,(H,19,24).
What are the key properties of N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 349.80 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 138996556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).