[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine

C5H8F2N4 — CID 83854664

IUPAC[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine
SMILESCn1nc(CN)c(C(F)F)n1
InChIInChI=1S/C5H8F2N4/c1-11-9-3(2-8)4(10-11)5(6)7/h5H,2,8H2,1H3
InChIKeyIMPVQEALSYQNNL-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.21
Rot. Bonds2

About [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine

[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine (PubChem CID 83854664) has the molecular formula C5H8F2N4 and a molecular weight of 162.14 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine
PubChem CID83854664
Molecular FormulaC5H8F2N4
Molecular Weight162.14 g/mol
Exact Mass162.07
IUPAC Name[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine
SMILESCn1nc(CN)c(C(F)F)n1
InChIInChI=1S/C5H8F2N4/c1-11-9-3(2-8)4(10-11)5(6)7/h5H,2,8H2,1H3
InChIKeyIMPVQEALSYQNNL-UHFFFAOYSA-N
XLogP0.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine?
The IUPAC name of [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine (CID 83854664) is [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine?
The canonical SMILES for [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine is Cn1nc(CN)c(C(F)F)n1.
What is the InChIKey of [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine?
The InChIKey is IMPVQEALSYQNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4/c1-11-9-3(2-8)4(10-11)5(6)7/h5H,2,8H2,1H3.
What are the key properties of [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine?
[5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine has a molecular weight of 162.14 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-methyltriazol-4-yl]methanamine is sourced from PubChem (CID 83854664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).