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

C11H17N9O — CID 80901085

IUPACN-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N9O/c1-3-13-8(21)7(2)15-9-16-10(19-12)18-11(17-9)20-6-4-5-14-20/h4-7H,3,12H2,1-2H3,(H,13,21)(H2,15,16,17,18,19)
InChIKeyUSUKMEGLSQHZOX-UHFFFAOYSA-N
MW291.32 g/mol
LogP-0.72
Rot. Bonds6

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

N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide (PubChem CID 80901085) 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)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide
PubChem CID80901085
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)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc(NN)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N9O/c1-3-13-8(21)7(2)15-9-16-10(19-12)18-11(17-9)20-6-4-5-14-20/h4-7H,3,12H2,1-2H3,(H,13,21)(H2,15,16,17,18,19)
InChIKeyUSUKMEGLSQHZOX-UHFFFAOYSA-N
XLogP-0.72
TPSA135.67 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
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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Related Compounds

2-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80787468
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80902251
4-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80910646
N-ethyl-2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)amino]propanamide
CID 80897706
ethyl 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 62864276
ethyl 2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]acetate
CID 80898546
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 80894247
(4-butan-2-ylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925052
2-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]butan-1-ol
CID 80902539
4-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 113451062
2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethanol
CID 80932632
4-hydrazinyl-N-methyl-N-(2-methylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80894041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide (CID 80901085) is N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide is CCNC(=O)C(C)Nc1nc(NN)nc(-n2cccn2)n1.
What is the InChIKey of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
The InChIKey is USUKMEGLSQHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N9O/c1-3-13-8(21)7(2)15-9-16-10(19-12)18-11(17-9)20-6-4-5-14-20/h4-7H,3,12H2,1-2H3,(H,13,21)(H2,15,16,17,18,19).
What are the key properties of N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide?
N-ethyl-2-[(4-hydrazinyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]propanamide has a molecular weight of 291.32 g/mol, XLogP of -0.72, 6 rotatable bonds, 4 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)amino]propanamide is sourced from PubChem (CID 80901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).