CID 175018731

C2H2ClN3Si — CID 175018731

IUPAC—
SMILESCl[Si]c1cn[nH]n1
InChIInChI=1S/C2H2ClN3Si/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyKQPSMYJYOXWOEQ-UHFFFAOYSA-N
MW131.60 g/mol
LogP-0.71
Rot. Bonds1

About CID 175018731

CID 175018731 (PubChem CID 175018731) has the molecular formula C2H2ClN3Si and a molecular weight of 131.60 g/mol.

Molecular Properties

Compound NameCID 175018731
PubChem CID175018731
Molecular FormulaC2H2ClN3Si
Molecular Weight131.60 g/mol
Exact Mass130.97
IUPAC Name—
SMILESCl[Si]c1cn[nH]n1
InChIInChI=1S/C2H2ClN3Si/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6)
InChIKeyKQPSMYJYOXWOEQ-UHFFFAOYSA-N
XLogP-0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.60
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2H-triazole
CID 20507674
4-[dichloro-[dichloro(2H-triazol-4-yl)methyl]sulfanylmethyl]-2H-triazole
CID 140973279
2H-triazol-4-yl hypochlorite
CID 175307130
ethane;4-(trifluoromethyl)-2H-triazole
CID 177142092
4-(1-chloroethyl)-2H-triazole
CID 54289123
N-ethyl-N-methyl-2H-triazol-4-amine
CID 69162370
4-(4-chloro-3-fluoro-2-methylphenyl)-2H-triazole
CID 90060329
CID 87509551
CID 87509551
dimethyl-bis(2H-triazol-4-yl)silane
CID 22468100
4-(3-fluoro-2,4-dimethylphenyl)-2H-triazole
CID 122466877
4-(3-ethyloxetan-3-yl)-2H-triazole
CID 166715401
4-ethylsulfonyl-2H-triazole
CID 12894702

Frequently Asked Questions

What is the IUPAC name of CID 175018731?
The IUPAC name of CID 175018731 (CID 175018731) is not available.
What is the SMILES notation for CID 175018731?
The canonical SMILES for CID 175018731 is Cl[Si]c1cn[nH]n1.
What is the InChIKey of CID 175018731?
The InChIKey is KQPSMYJYOXWOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClN3Si/c3-7-2-1-4-6-5-2/h1H,(H,4,5,6).
What are the key properties of CID 175018731?
CID 175018731 has a molecular weight of 131.60 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175018731 is sourced from PubChem (CID 175018731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).