1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine

C8H10F2N6 — CID 79542782

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6/c1-5-7(11)13-14-16(5)4-6-12-2-3-15(6)8(9)10/h2-3,8H,4,11H2,1H3
InChIKeyJCSFEVSFZJKTJC-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.81
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine (PubChem CID 79542782) has the molecular formula C8H10F2N6 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine
PubChem CID79542782
Molecular FormulaC8H10F2N6
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1nccn1C(F)F
InChIInChI=1S/C8H10F2N6/c1-5-7(11)13-14-16(5)4-6-12-2-3-15(6)8(9)10/h2-3,8H,4,11H2,1H3
InChIKeyJCSFEVSFZJKTJC-UHFFFAOYSA-N
XLogP0.81
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine (CID 79542782) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine?
The InChIKey is JCSFEVSFZJKTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N6/c1-5-7(11)13-14-16(5)4-6-12-2-3-15(6)8(9)10/h2-3,8H,4,11H2,1H3.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine has a molecular weight of 228.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 79542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).