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

C10H13F3N8 — CID 106304624

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N8/c1-2-21-5-16-20-8(21)4-15-6-3-7(19-14)18-9(17-6)10(11,12)13/h3,5H,2,4,14H2,1H3,(H2,15,17,18,19)
InChIKeyCZGJHFLYFRVRAL-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.00
Rot. Bonds5

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106304624) has the molecular formula C10H13F3N8 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106304624
Molecular FormulaC10H13F3N8
Molecular Weight302.26 g/mol
Exact Mass302.12
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N8/c1-2-21-5-16-20-8(21)4-15-6-3-7(19-14)18-9(17-6)10(11,12)13/h3,5H,2,4,14H2,1H3,(H2,15,17,18,19)
InChIKeyCZGJHFLYFRVRAL-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106304624) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is CCn1cnnc1CNc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CZGJHFLYFRVRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N8/c1-2-21-5-16-20-8(21)4-15-6-3-7(19-14)18-9(17-6)10(11,12)13/h3,5H,2,4,14H2,1H3,(H2,15,17,18,19).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106304624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).