(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine

C15H22N6 — CID 171803310

IUPAC(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine
SMILESCCC/C=C\C/C(C)=C1\N=C(c2cn(C)nc2N)N=C1N
InChIInChI=1S/C15H22N6/c1-4-5-6-7-8-10(2)12-14(17)19-15(18-12)11-9-21(3)20-13(11)16/h6-7,9H,4-5,8H2,1-3H3,(H2,16,20)(H2,17,18,19)/b7-6-,12-10-
InChIKeyPYJXXSXWUJEPBX-CEHXRRPISA-N
MW286.38 g/mol
LogP2.14
Rot. Bonds5

About (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine

(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine (PubChem CID 171803310) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine.

Molecular Properties

Compound Name(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine
PubChem CID171803310
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine
SMILESCCC/C=C\C/C(C)=C1\N=C(c2cn(C)nc2N)N=C1N
InChIInChI=1S/C15H22N6/c1-4-5-6-7-8-10(2)12-14(17)19-15(18-12)11-9-21(3)20-13(11)16/h6-7,9H,4-5,8H2,1-3H3,(H2,16,20)(H2,17,18,19)/b7-6-,12-10-
InChIKeyPYJXXSXWUJEPBX-CEHXRRPISA-N
XLogP2.14
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-methyl-1H-pyrazol-3-amine
CID 62688057
1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
3-Amino-1-(7-methylidenecycloocta-1,4-dien-1-yl)pyrazole-4-carbonitrile
CID 91512932
1-Methyl-4-pent-1-enylpyrazol-5-amine
CID 123377825
4-Ethenyl-1-methylpyrazol-3-amine
CID 124003987
2-(1-Methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
CID 138525754
ethane;1-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]pyrazole-4,5-diamine
CID 145625443
4-methyl-1-[(Z)-2-methylbut-1-enyl]pyrazol-5-amine
CID 146499224
4-[(1Z)-2-aminobuta-1,3-dienyl]-1-methylpyrazol-5-amine
CID 165402995
(Z)-3-(5-amino-1-methylpyrazol-4-yl)prop-2-ene-1,2-diamine;ethane
CID 165403020
2-(3-Amino-1-methylpyrazol-4-yl)-5-propan-2-ylideneimidazol-4-amine
CID 174366997

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine?
The IUPAC name of (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine (CID 171803310) is (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine.
What is the SMILES notation for (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine?
The canonical SMILES for (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine is CCC/C=C\C/C(C)=C1\N=C(c2cn(C)nc2N)N=C1N.
What is the InChIKey of (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine?
The InChIKey is PYJXXSXWUJEPBX-CEHXRRPISA-N. The full InChI is InChI=1S/C15H22N6/c1-4-5-6-7-8-10(2)12-14(17)19-15(18-12)11-9-21(3)20-13(11)16/h6-7,9H,4-5,8H2,1-3H3,(H2,16,20)(H2,17,18,19)/b7-6-,12-10-.
What are the key properties of (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine?
(5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-amino-1-methylpyrazol-4-yl)-5-[(Z)-oct-4-en-2-ylidene]imidazol-4-amine is sourced from PubChem (CID 171803310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).