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

C12H20N8 — CID 106304598

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H20N8/c1-4-20-7-15-19-11(20)6-14-9-5-10(18-13)17-12(16-9)8(2)3/h5,7-8H,4,6,13H2,1-3H3,(H2,14,16,17,18)
InChIKeyRNBZJFRHWGDLLM-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.11
Rot. Bonds6

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106304598) has the molecular formula C12H20N8 and a molecular weight of 276.35 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID106304598
Molecular FormulaC12H20N8
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1cnnc1CNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H20N8/c1-4-20-7-15-19-11(20)6-14-9-5-10(18-13)17-12(16-9)8(2)3/h5,7-8H,4,6,13H2,1-3H3,(H2,14,16,17,18)
InChIKeyRNBZJFRHWGDLLM-UHFFFAOYSA-N
XLogP1.11
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine (CID 106304598) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine is CCn1cnnc1CNc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RNBZJFRHWGDLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8/c1-4-20-7-15-19-11(20)6-14-9-5-10(18-13)17-12(16-9)8(2)3/h5,7-8H,4,6,13H2,1-3H3,(H2,14,16,17,18).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 276.35 g/mol, XLogP of 1.11, 6 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-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106304598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).