1-methanimidoylpiperazin-2-imine;molecular hydrogen

C5H12N4 — CID 142599598

IUPAC1-methanimidoylpiperazin-2-imine;molecular hydrogen
SMILES[H]/N=C/N1CCNC/C1=N\[H].[H][H]
InChIInChI=1S/C5H10N4.H2/c6-4-9-2-1-8-3-5(9)7;/h4,6-8H,1-3H2;1H/b6-4+,7-5+;
InChIKeyDHTXLVCULDNANQ-GWDFKRKCSA-N
MW128.18 g/mol
LogP-0.28
Rot. Bonds1

About 1-methanimidoylpiperazin-2-imine;molecular hydrogen

1-methanimidoylpiperazin-2-imine;molecular hydrogen (PubChem CID 142599598) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is 1-methanimidoylpiperazin-2-imine;molecular hydrogen.

Molecular Properties

Compound Name1-methanimidoylpiperazin-2-imine;molecular hydrogen
PubChem CID142599598
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name1-methanimidoylpiperazin-2-imine;molecular hydrogen
SMILES[H]/N=C/N1CCNC/C1=N\[H].[H][H]
InChIInChI=1S/C5H10N4.H2/c6-4-9-2-1-8-3-5(9)7;/h4,6-8H,1-3H2;1H/b6-4+,7-5+;
InChIKeyDHTXLVCULDNANQ-GWDFKRKCSA-N
XLogP-0.28
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-imino-N-methylpiperazin-1-amine
CID 144675229
1-methanimidoyl-3,4-dimethylpiperazin-2-imine
CID 143839553
N-methyl-1-(2-methylidenepiperazin-1-yl)methanimine
CID 143325168
1-prop-1-enylpiperazin-2-one
CID 141488928
2,2-di(piperazin-1-yl)ethanimine
CID 56996932
N-methanimidoyl-N-methylpiperazine-1-carboximidamide;molecular hydrogen
CID 170740622
ethane;1-ethenyl-N-methylpiperazin-2-imine
CID 145392859
6-methyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene;molecular hydrogen
CID 142978119
1-tert-butylpiperazin-2-one;molecular hydrogen
CID 142393051
(1S)-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-[4-[1-(2-iminopiperazin-1-yl)ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
CID 163417876
(E)-3-piperazin-1-ylbut-2-en-1-imine
CID 142245533
6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 135129321

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoylpiperazin-2-imine;molecular hydrogen?
The IUPAC name of 1-methanimidoylpiperazin-2-imine;molecular hydrogen (CID 142599598) is 1-methanimidoylpiperazin-2-imine;molecular hydrogen.
What is the SMILES notation for 1-methanimidoylpiperazin-2-imine;molecular hydrogen?
The canonical SMILES for 1-methanimidoylpiperazin-2-imine;molecular hydrogen is [H]/N=C/N1CCNC/C1=N\[H].[H][H].
What is the InChIKey of 1-methanimidoylpiperazin-2-imine;molecular hydrogen?
The InChIKey is DHTXLVCULDNANQ-GWDFKRKCSA-N. The full InChI is InChI=1S/C5H10N4.H2/c6-4-9-2-1-8-3-5(9)7;/h4,6-8H,1-3H2;1H/b6-4+,7-5+;.
What are the key properties of 1-methanimidoylpiperazin-2-imine;molecular hydrogen?
1-methanimidoylpiperazin-2-imine;molecular hydrogen has a molecular weight of 128.18 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoylpiperazin-2-imine;molecular hydrogen is sourced from PubChem (CID 142599598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).