5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine

C10H10F2N4O — CID 167819666

IUPAC5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
SMILESFC1(F)CC1c1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C10H10F2N4O/c11-10(12)4-7(10)8-14-9(16-15-8)13-5-6-2-1-3-17-6/h1-3,7H,4-5H2,(H2,13,14,15,16)
InChIKeyHOOVLFVXMHBCAU-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.13
Rot. Bonds4

About 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine

5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine (PubChem CID 167819666) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
PubChem CID167819666
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine
SMILESFC1(F)CC1c1nc(NCc2ccco2)n[nH]1
InChIInChI=1S/C10H10F2N4O/c11-10(12)4-7(10)8-14-9(16-15-8)13-5-6-2-1-3-17-6/h1-3,7H,4-5H2,(H2,13,14,15,16)
InChIKeyHOOVLFVXMHBCAU-UHFFFAOYSA-N
XLogP2.13
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-[(2S,3S)-3-(methoxymethyl)oxolan-2-yl]-1H-1,2,4-triazol-3-amine
CID 167915263
5-N-(3,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
CID 78318898
N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 28514232
2-N,4-N-bis(4-fluorophenyl)-6-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134140226
2-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889108
3-fluoro-3-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 112564732
5-(furan-2-ylmethylamino)-2H-1,2,4-triazine-3-thione
CID 23412220
N-(furan-2-ylmethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 28829457
N-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 54865266
N-(furan-2-ylmethyl)-4,7-dimethyl-1,3-benzothiazol-2-amine
CID 71300260
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine (CID 167819666) is 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine is FC1(F)CC1c1nc(NCc2ccco2)n[nH]1.
What is the InChIKey of 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is HOOVLFVXMHBCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-10(12)4-7(10)8-14-9(16-15-8)13-5-6-2-1-3-17-6/h1-3,7H,4-5H2,(H2,13,14,15,16).
What are the key properties of 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine?
5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 240.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluorocyclopropyl)-N-(furan-2-ylmethyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 167819666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).