5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

C12H19N7 — CID 114250770

IUPAC5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C12H19N7/c1-4-9-11(14-7-15-12(9)17-13)16-10-5-6-19(18-10)8(2)3/h5-8H,4,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyOBSRXTLYQFQYCX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.85
Rot. Bonds5

About 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (PubChem CID 114250770) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
PubChem CID114250770
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1Nc1ccn(C(C)C)n1
InChIInChI=1S/C12H19N7/c1-4-9-11(14-7-15-12(9)17-13)16-10-5-6-19(18-10)8(2)3/h5-8H,4,13H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyOBSRXTLYQFQYCX-UHFFFAOYSA-N
XLogP1.85
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine (CID 114250770) is 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is CCc1c(NN)ncnc1Nc1ccn(C(C)C)n1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is OBSRXTLYQFQYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-4-9-11(14-7-15-12(9)17-13)16-10-5-6-19(18-10)8(2)3/h5-8H,4,13H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-(1-propan-2-ylpyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 114250770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).