CID 59953757

C5H6N4TaU-2 — CID 59953757

IUPAC—
SMILESCN(C)c1n[c-]n[c-]n1.[Ta].[U]
InChIInChI=1S/C5H6N4.Ta.U/c1-9(2)5-7-3-6-4-8-5;;/h1-2H3;;/q-2;;
InChIKeyZWIUCEIUGIAZHD-UHFFFAOYSA-N
MW541.11 g/mol
LogP-0.46
Rot. Bonds1

About CID 59953757

CID 59953757 (PubChem CID 59953757) has the molecular formula C5H6N4TaU-2 and a molecular weight of 541.11 g/mol.

Molecular Properties

Compound NameCID 59953757
PubChem CID59953757
Molecular FormulaC5H6N4TaU-2
Molecular Weight541.11 g/mol
Exact Mass541.06
IUPAC Name—
SMILESCN(C)c1n[c-]n[c-]n1.[Ta].[U]
InChIInChI=1S/C5H6N4.Ta.U/c1-9(2)5-7-3-6-4-8-5;;/h1-2H3;;/q-2;;
InChIKeyZWIUCEIUGIAZHD-UHFFFAOYSA-N
XLogP-0.46
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.11
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 59953757 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59974246
CID 59974246
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 172706081
zinc 6-(dimethylamino)-1,3,5-triazine-2,4-dithiolate
CID 110193115
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
4,6-difluoro-N,N-dimethylpyrimidin-2-amine
CID 594438
6-[3-(dimethylamino)-1,2,4-triazin-6-yl]-N,N-dimethyl-1,2,4-triazin-3-amine
CID 100963977
5-methanimidoyl-N,N-dimethylpyrimidin-2-amine;hydrochloride
CID 175114731
4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 64731439
3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 14359128
5-(aminomethyl)-N,N-dimethylpyrimidin-2-amine
CID 62757845
molecular hydrogen;N,N,5-trimethyl-1H-1,2,4-triazol-3-amine
CID 167448525

Frequently Asked Questions

What is the IUPAC name of CID 59953757?
The IUPAC name of CID 59953757 (CID 59953757) is not available.
What is the SMILES notation for CID 59953757?
The canonical SMILES for CID 59953757 is CN(C)c1n[c-]n[c-]n1.[Ta].[U].
What is the InChIKey of CID 59953757?
The InChIKey is ZWIUCEIUGIAZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.Ta.U/c1-9(2)5-7-3-6-4-8-5;;/h1-2H3;;/q-2;;.
What are the key properties of CID 59953757?
CID 59953757 has a molecular weight of 541.11 g/mol, XLogP of -0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59953757 is sourced from PubChem (CID 59953757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).