2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

C6H9F3N4 — CID 62119747

IUPAC2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CNCC(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-13-4-11-12-5(13)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyCXHAWDTWUNDKKC-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.47
Rot. Bonds3

About 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (PubChem CID 62119747) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
PubChem CID62119747
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
SMILESCn1cnnc1CNCC(F)(F)F
InChIInChI=1S/C6H9F3N4/c1-13-4-11-12-5(13)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyCXHAWDTWUNDKKC-UHFFFAOYSA-N
XLogP0.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
methyl[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 23005312
(1-methyl-1H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 18314526
(1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 18330011
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24695936
1-(4-ethyl-4H-1,2,4-triazol-3-yl)-N-methylmethanamine
CID 28064104
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
methyl[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]amine
CID 56828625
1-(4-propyl-4H-1,2,4-triazol-3-yl)methanamine
CID 28063951
(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methanamine dihydrochloride
CID 50988294

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine (CID 62119747) is 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is Cn1cnnc1CNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
The InChIKey is CXHAWDTWUNDKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c1-13-4-11-12-5(13)2-10-3-6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 62119747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).