N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide

C11H17N9O — CID 80902251

IUPACN-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N9O/c1-3-13-8(21)7-19(2)10-15-9(18-12)16-11(17-10)20-6-4-5-14-20/h4-6H,3,7,12H2,1-2H3,(H,13,21)(H,15,16,17,18)
InChIKeyRMRSRUUHXRHQLI-UHFFFAOYSA-N
MW291.32 g/mol
LogP-1.08
Rot. Bonds6

About N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide

N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide (PubChem CID 80902251) has the molecular formula C11H17N9O and a molecular weight of 291.32 g/mol. Its IUPAC name is N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
PubChem CID80902251
Molecular FormulaC11H17N9O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC NameN-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
SMILESCCNC(=O)CN(C)c1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N9O/c1-3-13-8(21)7-19(2)10-15-9(18-12)16-11(17-10)20-6-4-5-14-20/h4-6H,3,7,12H2,1-2H3,(H,13,21)(H,15,16,17,18)
InChIKeyRMRSRUUHXRHQLI-UHFFFAOYSA-N
XLogP-1.08
TPSA126.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide (CID 80902251) is N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide is CCNC(=O)CN(C)c1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
The InChIKey is RMRSRUUHXRHQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-3-13-8(21)7-19(2)10-15-9(18-12)16-11(17-10)20-6-4-5-14-20/h4-6H,3,7,12H2,1-2H3,(H,13,21)(H,15,16,17,18).
What are the key properties of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide?
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide has a molecular weight of 291.32 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 80902251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).