1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

C14H18F3N5 — CID 75373685

IUPAC1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCn1cccc1CNCc1nnc2n1CCCC2C(F)(F)F
InChIInChI=1S/C14H18F3N5/c1-21-6-2-4-10(21)8-18-9-12-19-20-13-11(14(15,16)17)5-3-7-22(12)13/h2,4,6,11,18H,3,5,7-9H2,1H3
InChIKeyMOKGGUQFYZJGJH-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.35
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine

1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (PubChem CID 75373685) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
PubChem CID75373685
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine
SMILESCn1cccc1CNCc1nnc2n1CCCC2C(F)(F)F
InChIInChI=1S/C14H18F3N5/c1-21-6-2-4-10(21)8-18-9-12-19-20-13-11(14(15,16)17)5-3-7-22(12)13/h2,4,6,11,18H,3,5,7-9H2,1H3
InChIKeyMOKGGUQFYZJGJH-UHFFFAOYSA-N
XLogP2.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine (CID 75373685) is 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is Cn1cccc1CNCc1nnc2n1CCCC2C(F)(F)F.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
The InChIKey is MOKGGUQFYZJGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c1-21-6-2-4-10(21)8-18-9-12-19-20-13-11(14(15,16)17)5-3-7-22(12)13/h2,4,6,11,18H,3,5,7-9H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine?
1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine has a molecular weight of 313.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]methanamine is sourced from PubChem (CID 75373685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).