[1-(difluoromethyl)triazol-4-yl]methanamine

C4H6F2N4 — CID 154731374

IUPAC[1-(difluoromethyl)triazol-4-yl]methanamine
SMILESNCc1cn(C(F)F)nn1
InChIInChI=1S/C4H6F2N4/c5-4(6)10-2-3(1-7)8-9-10/h2,4H,1,7H2
InChIKeyKQGKMDNGCJOIKZ-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.13
Rot. Bonds2

About [1-(difluoromethyl)triazol-4-yl]methanamine

[1-(difluoromethyl)triazol-4-yl]methanamine (PubChem CID 154731374) has the molecular formula C4H6F2N4 and a molecular weight of 148.12 g/mol. Its IUPAC name is [1-(difluoromethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(difluoromethyl)triazol-4-yl]methanamine
PubChem CID154731374
Molecular FormulaC4H6F2N4
Molecular Weight148.12 g/mol
Exact Mass148.06
IUPAC Name[1-(difluoromethyl)triazol-4-yl]methanamine
SMILESNCc1cn(C(F)F)nn1
InChIInChI=1S/C4H6F2N4/c5-4(6)10-2-3(1-7)8-9-10/h2,4H,1,7H2
InChIKeyKQGKMDNGCJOIKZ-UHFFFAOYSA-N
XLogP0.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161
[1-(pyrazin-2-ylmethyl)triazol-4-yl]methanamine
CID 62054119
[1-(difluoromethyl)imidazol-4-yl]methanamine
CID 106718014
[1-[3-(difluoromethyl)phenyl]triazol-4-yl]methanamine
CID 130302363
2-[4-(aminomethyl)triazol-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 82202074
4-(fluoromethyl)-1-heptan-4-yltriazole
CID 131994332
1-butan-2-yl-4-ethyltriazole
CID 138568192
4-(3-fluoropropoxymethyl)-1-propan-2-yltriazole
CID 171649243
(3S)-3-[4-(aminomethyl)triazol-1-yl]-4-oxo-4-piperidin-4-ylbutanoic acid
CID 126546989
(1-cyclobutyltriazol-4-yl)methanamine
CID 84649674
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)triazol-4-yl]methanamine?
The IUPAC name of [1-(difluoromethyl)triazol-4-yl]methanamine (CID 154731374) is [1-(difluoromethyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(difluoromethyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(difluoromethyl)triazol-4-yl]methanamine is NCc1cn(C(F)F)nn1.
What is the InChIKey of [1-(difluoromethyl)triazol-4-yl]methanamine?
The InChIKey is KQGKMDNGCJOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N4/c5-4(6)10-2-3(1-7)8-9-10/h2,4H,1,7H2.
What are the key properties of [1-(difluoromethyl)triazol-4-yl]methanamine?
[1-(difluoromethyl)triazol-4-yl]methanamine has a molecular weight of 148.12 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 154731374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).