1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium

C9H12N5Y- — CID 59107797

IUPAC1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
SMILESCc1[c-]ccc(/N=C(\N)N=C(N)N)c1.[Y]
InChIInChI=1S/C9H12N5.Y/c1-6-3-2-4-7(5-6)13-9(12)14-8(10)11;/h2,4-5H,1H3,(H6,10,11,12,13,14);/q-1;
InChIKeyRIPNRKXXWSUHGE-UHFFFAOYSA-N
MW279.14 g/mol
LogP0.01
Rot. Bonds1

About 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium

1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium (PubChem CID 59107797) has the molecular formula C9H12N5Y- and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
PubChem CID59107797
Molecular FormulaC9H12N5Y-
Molecular Weight279.14 g/mol
Exact Mass279.02
IUPAC Name1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
SMILESCc1[c-]ccc(/N=C(\N)N=C(N)N)c1.[Y]
InChIInChI=1S/C9H12N5.Y/c1-6-3-2-4-7(5-6)13-9(12)14-8(10)11;/h2,4-5H,1H3,(H6,10,11,12,13,14);/q-1;
InChIKeyRIPNRKXXWSUHGE-UHFFFAOYSA-N
XLogP0.01
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
2-(4-Methylcyclohexa-1,5-dien-1-yl)guanidine
CID 123347365
(5Z,6E)-5,6-di(ethylidene)pyridin-2-amine
CID 130466666
(5Z,6E)-6-ethylidene-5-prop-2-enylidenepyridin-2-amine
CID 134444287
N'-[(3E,5Z)-5-ethenylocta-1,3,5,7-tetraen-4-yl]methanimidamide
CID 139406245
2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]guanidine
CID 141790398
ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide
CID 143256311
2-[(3E)-hexa-1,3-dien-3-yl]-1-methylideneguanidine
CID 143861779
N'-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-N-methylidenemethanimidamide
CID 144438324

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium?
The IUPAC name of 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium (CID 59107797) is 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium.
What is the SMILES notation for 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium?
The canonical SMILES for 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium is Cc1[c-]ccc(/N=C(\N)N=C(N)N)c1.[Y].
What is the InChIKey of 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium?
The InChIKey is RIPNRKXXWSUHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N5.Y/c1-6-3-2-4-7(5-6)13-9(12)14-8(10)11;/h2,4-5H,1H3,(H6,10,11,12,13,14);/q-1;.
What are the key properties of 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium?
1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium has a molecular weight of 279.14 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium is sourced from PubChem (CID 59107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).