1-(2,2-difluoroethyl)-5-propyltriazol-4-amine

C7H12F2N4 — CID 79542477

IUPAC1-(2,2-difluoroethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CC(F)F
InChIInChI=1S/C7H12F2N4/c1-2-3-5-7(10)11-12-13(5)4-6(8)9/h6H,2-4,10H2,1H3
InChIKeySSHHPMGGMVXKEJ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.08
Rot. Bonds4

About 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine

1-(2,2-difluoroethyl)-5-propyltriazol-4-amine (PubChem CID 79542477) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-propyltriazol-4-amine
PubChem CID79542477
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(2,2-difluoroethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CC(F)F
InChIInChI=1S/C7H12F2N4/c1-2-3-5-7(10)11-12-13(5)4-6(8)9/h6H,2-4,10H2,1H3
InChIKeySSHHPMGGMVXKEJ-UHFFFAOYSA-N
XLogP1.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-difluoroethyl)-5-propyltriazole-4-carboxylic acid
CID 62054405
1-(cyclobutylmethyl)-5-propyltriazol-4-amine
CID 79542574
1-[(3-bromo-5-fluorophenyl)methyl]-5-propyltriazol-4-amine
CID 79711166
5-propyl-1-(2-pyrazol-1-ylethyl)triazol-4-amine
CID 79541998
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79543356
1-[(1,3-diethylpyrazol-5-yl)methyl]-5-propyltriazol-4-amine
CID 79542077
1-(furan-2-ylmethyl)-5-propyltriazol-4-amine
CID 79543353
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542569
5-ethyl-1-propyltriazol-4-amine
CID 79542542
1-[(3-fluoro-5-nitrophenyl)methyl]-5-propyltriazol-4-amine
CID 115981597
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
1-[(4-bromothiophen-2-yl)methyl]-5-propyltriazol-4-amine
CID 79542088

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine (CID 79542477) is 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine?
The InChIKey is SSHHPMGGMVXKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N4/c1-2-3-5-7(10)11-12-13(5)4-6(8)9/h6H,2-4,10H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine?
1-(2,2-difluoroethyl)-5-propyltriazol-4-amine has a molecular weight of 190.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79542477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).