ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide

C17H31N7O — CID 144632143

IUPACethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide
SMILESC=C.CC.CCCC(=O)NCc1ccc(-c2nncnn2)cc1.NN.[H][H]
InChIInChI=1S/C13H15N5O.C2H6.C2H4.H4N2.H2/c1-2-3-12(19)14-8-10-4-6-11(7-5-10)13-17-15-9-16-18-13;3*1-2;/h4-7,9H,2-3,8H2,1H3,(H,14,19);1-2H3;2*1-2H2;1H
InChIKeyBAUSUODNVGYJGK-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.24
Rot. Bonds5

About ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide

ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide (PubChem CID 144632143) has the molecular formula C17H31N7O and a molecular weight of 349.48 g/mol. Its IUPAC name is ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Nameethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide
PubChem CID144632143
Molecular FormulaC17H31N7O
Molecular Weight349.48 g/mol
Exact Mass349.26
IUPAC Nameethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide
SMILESC=C.CC.CCCC(=O)NCc1ccc(-c2nncnn2)cc1.NN.[H][H]
InChIInChI=1S/C13H15N5O.C2H6.C2H4.H4N2.H2/c1-2-3-12(19)14-8-10-4-6-11(7-5-10)13-17-15-9-16-18-13;3*1-2;/h4-7,9H,2-3,8H2,1H3,(H,14,19);1-2H3;2*1-2H2;1H
InChIKeyBAUSUODNVGYJGK-UHFFFAOYSA-N
XLogP2.24
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-oxo-N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]hexanamide
CID 144774247
N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]butanamide
CID 145152753
N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-(dimethylamino)-N-[2-[2-[2-[2-[3-oxo-3-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 169225264
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]butanamide
CID 143877601
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 164536999
4-[(butanoylamino)methyl]benzenesulfonyl chloride
CID 24688623
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454883
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138393283
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methyl]propanamide
CID 138454889

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide?
The IUPAC name of ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide (CID 144632143) is ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide.
What is the SMILES notation for ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide?
The canonical SMILES for ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide is C=C.CC.CCCC(=O)NCc1ccc(-c2nncnn2)cc1.NN.[H][H].
What is the InChIKey of ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide?
The InChIKey is BAUSUODNVGYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O.C2H6.C2H4.H4N2.H2/c1-2-3-12(19)14-8-10-4-6-11(7-5-10)13-17-15-9-16-18-13;3*1-2;/h4-7,9H,2-3,8H2,1H3,(H,14,19);1-2H3;2*1-2H2;1H.
What are the key properties of ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide?
ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide has a molecular weight of 349.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;hydrazine;molecular hydrogen;N-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 144632143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).