4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile

C17H9ClFN7 — CID 142611010

IUPAC4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cn3ncnc3c(Cc3ccccc3F)n2)nc1Cl
InChIInChI=1S/C17H9ClFN7/c18-15-11(6-20)7-21-16(25-15)14-8-26-17(22-9-23-26)13(24-14)5-10-3-1-2-4-12(10)19/h1-4,7-9H,5H2
InChIKeyNFHTVDHUSYCFPN-UHFFFAOYSA-N
MW365.76 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile

4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile (PubChem CID 142611010) has the molecular formula C17H9ClFN7 and a molecular weight of 365.76 g/mol. Its IUPAC name is 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile
PubChem CID142611010
Molecular FormulaC17H9ClFN7
Molecular Weight365.76 g/mol
Exact Mass365.06
IUPAC Name4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2cn3ncnc3c(Cc3ccccc3F)n2)nc1Cl
InChIInChI=1S/C17H9ClFN7/c18-15-11(6-20)7-21-16(25-15)14-8-26-17(22-9-23-26)13(24-14)5-10-3-1-2-4-12(10)19/h1-4,7-9H,5H2
InChIKeyNFHTVDHUSYCFPN-UHFFFAOYSA-N
XLogP2.84
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile (CID 142611010) is 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile is N#Cc1cnc(-c2cn3ncnc3c(Cc3ccccc3F)n2)nc1Cl.
What is the InChIKey of 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile?
The InChIKey is NFHTVDHUSYCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN7/c18-15-11(6-20)7-21-16(25-15)14-8-26-17(22-9-23-26)13(24-14)5-10-3-1-2-4-12(10)19/h1-4,7-9H,5H2.
What are the key properties of 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile?
4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile has a molecular weight of 365.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 142611010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).