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

C11H11ClF3N5 — CID 102716067

IUPAC6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cnc(CCNc2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C11H11ClF3N5/c1-20-6-17-9(19-20)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyNRKAVOGWBVAIIE-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.54
Rot. Bonds4

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

6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716067) has the molecular formula C11H11ClF3N5 and a molecular weight of 305.69 g/mol. Its IUPAC name is 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716067
Molecular FormulaC11H11ClF3N5
Molecular Weight305.69 g/mol
Exact Mass305.07
IUPAC Name6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cnc(CCNc2cc(C(F)(F)F)cc(Cl)n2)n1
InChIInChI=1S/C11H11ClF3N5/c1-20-6-17-9(19-20)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-6H,2-3H2,1H3,(H,16,18)
InChIKeyNRKAVOGWBVAIIE-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 103009998
6-chloro-N-(3-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715447
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
2-tert-butyl-6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 80956546
2-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80688951
N-but-3-enyl-6-chloro-4-(trifluoromethyl)pyridin-2-amine
CID 106196196
6-N-methyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-propylpyrimidine-4,6-diamine
CID 80950114
6-hydrazinyl-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 80926867
6-chloro-N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715638
6-chloro-N-(2-methylbutan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715359
6-chloro-N-(5-methylsulfanylpentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 114128759

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine (CID 102716067) is 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is Cn1cnc(CCNc2cc(C(F)(F)F)cc(Cl)n2)n1.
What is the InChIKey of 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NRKAVOGWBVAIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N5/c1-20-6-17-9(19-20)2-3-16-10-5-7(11(13,14)15)4-8(12)18-10/h4-6H,2-3H2,1H3,(H,16,18).
What are the key properties of 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine?
6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 305.69 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).