[1-(2,2-difluoroethyl)triazol-4-yl]methanamine

C5H8F2N4 — CID 62055658

IUPAC[1-(2,2-difluoroethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC(F)F)nn1
InChIInChI=1S/C5H8F2N4/c6-5(7)3-11-2-4(1-8)9-10-11/h2,5H,1,3,8H2
InChIKeyDUKHXFCEYHORQG-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.00
Rot. Bonds3

About [1-(2,2-difluoroethyl)triazol-4-yl]methanamine

[1-(2,2-difluoroethyl)triazol-4-yl]methanamine (PubChem CID 62055658) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)triazol-4-yl]methanamine
PubChem CID62055658
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name[1-(2,2-difluoroethyl)triazol-4-yl]methanamine
SMILESNCc1cn(CC(F)F)nn1
InChIInChI=1S/C5H8F2N4/c6-5(7)3-11-2-4(1-8)9-10-11/h2,5H,1,3,8H2
InChIKeyDUKHXFCEYHORQG-UHFFFAOYSA-N
XLogP0.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole
CID 14489354
2-(4-Methyl-1H-1,2,3-triazol-1-yl)ethanamine
CID 45791271
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
(1-methyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 69061589
(1-ethyl-1H-1,2,3-triazol-5-yl)methanamine
CID 72214389
1-(1-methyl-1H-1,2,3-triazol-5-yl)methanamine hydrochloride
CID 110209505
methyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine hydrochloride
CID 122156619
ethyl[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]amine
CID 62755740
(1-Methyl-1H-1,2,3-triazol-4-YL)methanamine
CID 54595826
(1-Isopropyl-1H-1,2,3-triazol-4-yl)methanamine
CID 62055376
4-(Trifluoromethyl)-1H-1,2,3-triazole-1-ethanamine
CID 55295499
N-((1-methyl-1H-1,2,3-triazol-4-yl)methyl)cyclopropanamine
CID 62755384

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2,2-difluoroethyl)triazol-4-yl]methanamine (CID 62055658) is [1-(2,2-difluoroethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethyl)triazol-4-yl]methanamine is NCc1cn(CC(F)F)nn1.
What is the InChIKey of [1-(2,2-difluoroethyl)triazol-4-yl]methanamine?
The InChIKey is DUKHXFCEYHORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c6-5(7)3-11-2-4(1-8)9-10-11/h2,5H,1,3,8H2.
What are the key properties of [1-(2,2-difluoroethyl)triazol-4-yl]methanamine?
[1-(2,2-difluoroethyl)triazol-4-yl]methanamine has a molecular weight of 162.14 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 62055658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).