1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

C8H14F2N4 — CID 102869555

IUPAC1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(NCCc1nncn1C)C(F)F
InChIInChI=1S/C8H14F2N4/c1-6(8(9)10)11-4-3-7-13-12-5-14(7)2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyIPFOZRYIOKYDHQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.60
Rot. Bonds5

About 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine

1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (PubChem CID 102869555) has the molecular formula C8H14F2N4 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
PubChem CID102869555
Molecular FormulaC8H14F2N4
Molecular Weight204.22 g/mol
Exact Mass204.12
IUPAC Name1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
SMILESCC(NCCc1nncn1C)C(F)F
InChIInChI=1S/C8H14F2N4/c1-6(8(9)10)11-4-3-7-13-12-5-14(7)2/h5-6,8,11H,3-4H2,1-2H3
InChIKeyIPFOZRYIOKYDHQ-UHFFFAOYSA-N
XLogP0.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl(((4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)methyl))amine
CID 16763501
alpha,4-Dimethyl-4H-1,2,4-triazole-3-methanamine
CID 16766592
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47252639
1-(4-Isopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16763504
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine
CID 16767398
2-(4-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
CID 44118466
2-(4-(propan-2-yl)-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 47000736
2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988341
2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethan-1-amine dihydrochloride
CID 50988419
3-(azetidin-3-yl)-4-cyclopropyl-4H-1,2,4-triazole
CID 79317110
3-(3-methyl-4H-1,2,4-triazol-4-yl)propan-1-amine 1.55*hydrochloride
CID 138040764

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine (CID 102869555) is 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is CC(NCCc1nncn1C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
The InChIKey is IPFOZRYIOKYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N4/c1-6(8(9)10)11-4-3-7-13-12-5-14(7)2/h5-6,8,11H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine?
1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine has a molecular weight of 204.22 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).