6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C10H13F3N8 — CID 106775695

IUPAC6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cnnc1CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N8/c1-21-5-16-20-8(21)2-3-15-6-4-7(19-14)18-9(17-6)10(11,12)13/h4-5H,2-3,14H2,1H3,(H2,15,17,18,19)
InChIKeyRCFGINAEGTWGGF-UHFFFAOYSA-N
MW302.26 g/mol
LogP0.56
Rot. Bonds5

About 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775695) has the molecular formula C10H13F3N8 and a molecular weight of 302.26 g/mol. Its IUPAC name is 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775695
Molecular FormulaC10H13F3N8
Molecular Weight302.26 g/mol
Exact Mass302.12
IUPAC Name6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1cnnc1CCNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N8/c1-21-5-16-20-8(21)2-3-15-6-4-7(19-14)18-9(17-6)10(11,12)13/h4-5H,2-3,14H2,1H3,(H2,15,17,18,19)
InChIKeyRCFGINAEGTWGGF-UHFFFAOYSA-N
XLogP0.56
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 50.56
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

6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775475
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
5-methyl-2-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2,4-diamine
CID 83266029
6-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 63330911
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106776163
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridin-4-amine
CID 102824217
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775695) is 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cn1cnnc1CCNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RCFGINAEGTWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N8/c1-21-5-16-20-8(21)2-3-15-6-4-7(19-14)18-9(17-6)10(11,12)13/h4-5H,2-3,14H2,1H3,(H2,15,17,18,19).
What are the key properties of 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).