1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium

C10H12N5Y- — CID 59107798

IUPAC1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
SMILESCc1[c-]cc(N2CN=C(N)N=C2N)cc1.[Y]
InChIInChI=1S/C10H12N5.Y/c1-7-2-4-8(5-3-7)15-6-13-9(11)14-10(15)12;/h2,4-5H,6H2,1H3,(H4,11,12,13,14);/q-1;
InChIKeyAKTFWBNMODAITH-UHFFFAOYSA-N
MW291.15 g/mol
LogP0.20
Rot. Bonds1

About 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium

1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium (PubChem CID 59107798) has the molecular formula C10H12N5Y- and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium.

Molecular Properties

Compound Name1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
PubChem CID59107798
Molecular FormulaC10H12N5Y-
Molecular Weight291.15 g/mol
Exact Mass291.02
IUPAC Name1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
SMILESCc1[c-]cc(N2CN=C(N)N=C2N)cc1.[Y]
InChIInChI=1S/C10H12N5.Y/c1-7-2-4-8(5-3-7)15-6-13-9(11)14-10(15)12;/h2,4-5H,6H2,1H3,(H4,11,12,13,14);/q-1;
InChIKeyAKTFWBNMODAITH-UHFFFAOYSA-N
XLogP0.20
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,4,6,6-Tetramethylpyrimidin-2-amine
CID 336221
ethane;5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
CID 143800881
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide;ethane
CID 145222589
5-Ethyl-1,6-dimethyl-4-methylidenepyrimidin-2-amine
CID 129938174
5-ethenyl-1-methyl-6-[(Z)-prop-1-enyl]-4H-pyrimidin-2-amine
CID 143800882
N',4-dimethyl-2-methylidenepyridine-1-carboximidamide
CID 145222590
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1-methylguanidine
CID 157078725
3-(Diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099842
3-(Diaminomethylidene)-1-methyl-1-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099843
3-(Diaminomethylidene)-1-methyl-1-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099844
1,1-dimethyl-2-[N'-(5-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099845
6-N-cyclopenta-1,4-dien-1-yl-6-N,4-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 157171984

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium?
The IUPAC name of 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium (CID 59107798) is 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium.
What is the SMILES notation for 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium?
The canonical SMILES for 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium is Cc1[c-]cc(N2CN=C(N)N=C2N)cc1.[Y].
What is the InChIKey of 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium?
The InChIKey is AKTFWBNMODAITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N5.Y/c1-7-2-4-8(5-3-7)15-6-13-9(11)14-10(15)12;/h2,4-5H,6H2,1H3,(H4,11,12,13,14);/q-1;.
What are the key properties of 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium?
1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium has a molecular weight of 291.15 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium is sourced from PubChem (CID 59107798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).