(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen

C8H17N5 — CID 145331124

IUPAC(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen
SMILESCN1CCN(N)/C(=C2/CN=CN2)C1.[H][H]
InChIInChI=1S/C8H15N5.H2/c1-12-2-3-13(9)8(5-12)7-4-10-6-11-7;/h6H,2-5,9H2,1H3,(H,10,11);1H/b8-7-;
InChIKeyJCIYCWBOCBYRCK-CFYXSCKTSA-N
MW183.26 g/mol
LogP-0.80
Rot. Bonds

About (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen

(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen (PubChem CID 145331124) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen
PubChem CID145331124
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen
SMILESCN1CCN(N)/C(=C2/CN=CN2)C1.[H][H]
InChIInChI=1S/C8H15N5.H2/c1-12-2-3-13(9)8(5-12)7-4-10-6-11-7;/h6H,2-5,9H2,1H3,(H,10,11);1H/b8-7-;
InChIKeyJCIYCWBOCBYRCK-CFYXSCKTSA-N
XLogP-0.80
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen?
The IUPAC name of (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen (CID 145331124) is (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen.
What is the SMILES notation for (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen?
The canonical SMILES for (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen is CN1CCN(N)/C(=C2/CN=CN2)C1.[H][H].
What is the InChIKey of (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen?
The InChIKey is JCIYCWBOCBYRCK-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H15N5.H2/c1-12-2-3-13(9)8(5-12)7-4-10-6-11-7;/h6H,2-5,9H2,1H3,(H,10,11);1H/b8-7-;.
What are the key properties of (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen?
(2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen has a molecular weight of 183.26 g/mol, XLogP of -0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1,4-dihydroimidazol-5-ylidene)-4-methylpiperazin-1-amine;molecular hydrogen is sourced from PubChem (CID 145331124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).