5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide

C14H17N5O — CID 107377524

IUPAC5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C14H17N5O/c15-19-13-10-17-12(9-18-13)14(20)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,15H2,(H,16,20)(H,18,19)
InChIKeyHXJISRQOTHLIMQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.12
Rot. Bonds6

About 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide

5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 107377524) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID107377524
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESNNc1cnc(C(=O)NCCCc2ccccc2)cn1
InChIInChI=1S/C14H17N5O/c15-19-13-10-17-12(9-18-13)14(20)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,15H2,(H,16,20)(H,18,19)
InChIKeyHXJISRQOTHLIMQ-UHFFFAOYSA-N
XLogP1.12
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011
5-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109284508
5-(4-fluoroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287008
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
5-(2-ethoxyanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287022
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
5-[(2-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282298
N-(2-fluoroethyl)-5-hydrazinylpyrazine-2-carboxamide
CID 130504959
5-hydrazinyl-N-(4-methylsulfanylbutyl)pyrazine-2-carboxamide
CID 107378653
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide (CID 107377524) is 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide is NNc1cnc(C(=O)NCCCc2ccccc2)cn1.
What is the InChIKey of 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is HXJISRQOTHLIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c15-19-13-10-17-12(9-18-13)14(20)16-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,15H2,(H,16,20)(H,18,19).
What are the key properties of 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide?
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107377524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).