2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C8H8F3N7O — CID 114185590

IUPAC2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCc2ncon2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N7O/c9-8(10,11)4-1-5(16-7(15-4)17-12)13-2-6-14-3-19-18-6/h1,3H,2,12H2,(H2,13,15,16,17)
InChIKeySMMCBTINDQNLGR-UHFFFAOYSA-N
MW275.19 g/mol
LogP0.78
Rot. Bonds4

About 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114185590) has the molecular formula C8H8F3N7O and a molecular weight of 275.19 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114185590
Molecular FormulaC8H8F3N7O
Molecular Weight275.19 g/mol
Exact Mass275.07
IUPAC Name2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCc2ncon2)cc(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N7O/c9-8(10,11)4-1-5(16-7(15-4)17-12)13-2-6-14-3-19-18-6/h1,3H,2,12H2,(H2,13,15,16,17)
InChIKeySMMCBTINDQNLGR-UHFFFAOYSA-N
XLogP0.78
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.19
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-3-ylmethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567634
6-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 114184724
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 106402979
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
2-hydrazinyl-N-(2-methylsulfanylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567594
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-3-methylbutan-2-ol
CID 114567617
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114185590) is 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCc2ncon2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SMMCBTINDQNLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7O/c9-8(10,11)4-1-5(16-7(15-4)17-12)13-2-6-14-3-19-18-6/h1,3H,2,12H2,(H2,13,15,16,17).
What are the key properties of 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 275.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1,2,4-oxadiazol-3-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114185590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).