5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C14H13ClFN5 — CID 103076152

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H13ClFN5/c1-9-12(15)19-14-17-8-18-21(14)13(9)20(2)7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3
InChIKeyHUZSFEGEXBAWHE-UHFFFAOYSA-N
MW305.74 g/mol
LogP2.86
Rot. Bonds3

About 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076152) has the molecular formula C14H13ClFN5 and a molecular weight of 305.74 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076152
Molecular FormulaC14H13ClFN5
Molecular Weight305.74 g/mol
Exact Mass305.08
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H13ClFN5/c1-9-12(15)19-14-17-8-18-21(14)13(9)20(2)7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3
InChIKeyHUZSFEGEXBAWHE-UHFFFAOYSA-N
XLogP2.86
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076152) is 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1N(C)Cc1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HUZSFEGEXBAWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN5/c1-9-12(15)19-14-17-8-18-21(14)13(9)20(2)7-10-4-3-5-11(16)6-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.74 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).