N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine

C11H12F3N5 — CID 64529648

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCCCc2ncn[nH]2)n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-3-1-4-9(18-8)15-6-2-5-10-16-7-17-19-10/h1,3-4,7H,2,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyPTYMDDPRZFZXIF-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.26
Rot. Bonds5

About N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 64529648) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID64529648
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCCCc2ncn[nH]2)n1
InChIInChI=1S/C11H12F3N5/c12-11(13,14)8-3-1-4-9(18-8)15-6-2-5-10-16-7-17-19-10/h1,3-4,7H,2,5-6H2,(H,15,18)(H,16,17,19)
InChIKeyPTYMDDPRZFZXIF-UHFFFAOYSA-N
XLogP2.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine (CID 64529648) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCCCc2ncn[nH]2)n1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PTYMDDPRZFZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c12-11(13,14)8-3-1-4-9(18-8)15-6-2-5-10-16-7-17-19-10/h1,3-4,7H,2,5-6H2,(H,15,18)(H,16,17,19).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 271.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 64529648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).