CID 173129520

C2H3N3Ni — CID 173129520

IUPAC—
SMILESN.[C]#N.[C]#N.[Ni]
InChIInChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;
InChIKeySMKPRLABGWNBFE-UHFFFAOYSA-N
MW127.76 g/mol
LogP0.35
Rot. Bonds

About CID 173129520

CID 173129520 (PubChem CID 173129520) has the molecular formula C2H3N3Ni and a molecular weight of 127.76 g/mol.

Molecular Properties

Compound NameCID 173129520
PubChem CID173129520
Molecular FormulaC2H3N3Ni
Molecular Weight127.76 g/mol
Exact Mass126.97
IUPAC Name—
SMILESN.[C]#N.[C]#N.[Ni]
InChIInChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;
InChIKeySMKPRLABGWNBFE-UHFFFAOYSA-N
XLogP0.35
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.76
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 173129520?
The IUPAC name of CID 173129520 (CID 173129520) is not available.
What is the SMILES notation for CID 173129520?
The canonical SMILES for CID 173129520 is N.[C]#N.[C]#N.[Ni].
What is the InChIKey of CID 173129520?
The InChIKey is SMKPRLABGWNBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2CN.H3N.Ni/c2*1-2;;/h;;1H3;.
What are the key properties of CID 173129520?
CID 173129520 has a molecular weight of 127.76 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173129520 is sourced from PubChem (CID 173129520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).