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

C12H18N8 — CID 80963730

IUPAC2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C2CC2)n1)c1nncn1C
InChIInChI=1S/C12H18N8/c1-7(12-19-14-6-20(12)2)15-9-5-10(18-13)17-11(16-9)8-3-4-8/h5-8H,3-4,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyVZIDTZSPOKATEH-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.94
Rot. Bonds5

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

2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 80963730) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID80963730
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C2CC2)n1)c1nncn1C
InChIInChI=1S/C12H18N8/c1-7(12-19-14-6-20(12)2)15-9-5-10(18-13)17-11(16-9)8-3-4-8/h5-8H,3-4,13H2,1-2H3,(H2,15,16,17,18)
InChIKeyVZIDTZSPOKATEH-UHFFFAOYSA-N
XLogP0.94
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.94
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-[(1S)-2,2-dimethylcyclopropyl]-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-7-amine
CID 128730908
N-ethyl-N-methyl-N'-[3-(1H-tetrazol-5-yl)propyl]pyrimidine-4,6-diamine
CID 132421092
5-fluoro-2-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine
CID 80908117
6-hydrazinyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 105899596
6-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 106282738
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-fluoropyrimidin-4-amine
CID 106303904
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304408
4-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106304450
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106304624
6-N-ethyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771685
6-N-methyl-4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771686
4-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771687

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine (CID 80963730) is 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is CC(Nc1cc(NN)nc(C2CC2)n1)c1nncn1C.
What is the InChIKey of 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is VZIDTZSPOKATEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-7(12-19-14-6-20(12)2)15-9-5-10(18-13)17-11(16-9)8-3-4-8/h5-8H,3-4,13H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine?
2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80963730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).