6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C10H10ClF3N6 — CID 106303931

IUPAC6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10ClF3N6/c1-2-20-5-16-19-8(20)4-15-7-3-6(11)17-9(18-7)10(12,13)14/h3,5H,2,4H2,1H3,(H,15,17,18)
InChIKeyAXISZDIWDSKQGZ-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.37
Rot. Bonds4

About 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106303931) has the molecular formula C10H10ClF3N6 and a molecular weight of 306.68 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106303931
Molecular FormulaC10H10ClF3N6
Molecular Weight306.68 g/mol
Exact Mass306.06
IUPAC Name6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H10ClF3N6/c1-2-20-5-16-19-8(20)4-15-7-3-6(11)17-9(18-7)10(12,13)14/h3,5H,2,4H2,1H3,(H,15,17,18)
InChIKeyAXISZDIWDSKQGZ-UHFFFAOYSA-N
XLogP2.37
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106303931) is 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CCn1cnnc1CNc1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AXISZDIWDSKQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N6/c1-2-20-5-16-19-8(20)4-15-7-3-6(11)17-9(18-7)10(12,13)14/h3,5H,2,4H2,1H3,(H,15,17,18).
What are the key properties of 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 306.68 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106303931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).