CID 134889008

C12H25N3Ti — CID 134889008

IUPAC—
SMILESCC1=CC=C[CH]1.C[N-]C.C[N-]C.C[N-]C.[Ti+3]
InChIInChI=1S/C6H7.3C2H6N.Ti/c1-6-4-2-3-5-6;3*1-3-2;/h2-5H,1H3;3*1-2H3;/q;3*-1;+3
InChIKeyJWAJBRGDKGFMLZ-UHFFFAOYSA-N
MW259.22 g/mol
LogP3.56
Rot. Bonds

About CID 134889008

CID 134889008 (PubChem CID 134889008) has the molecular formula C12H25N3Ti and a molecular weight of 259.22 g/mol.

Molecular Properties

Compound NameCID 134889008
PubChem CID134889008
Molecular FormulaC12H25N3Ti
Molecular Weight259.22 g/mol
Exact Mass259.15
IUPAC Name—
SMILESCC1=CC=C[CH]1.C[N-]C.C[N-]C.C[N-]C.[Ti+3]
InChIInChI=1S/C6H7.3C2H6N.Ti/c1-6-4-2-3-5-6;3*1-3-2;/h2-5H,1H3;3*1-2H3;/q;3*-1;+3
InChIKeyJWAJBRGDKGFMLZ-UHFFFAOYSA-N
XLogP3.56
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134889008?
The IUPAC name of CID 134889008 (CID 134889008) is not available.
What is the SMILES notation for CID 134889008?
The canonical SMILES for CID 134889008 is CC1=CC=C[CH]1.C[N-]C.C[N-]C.C[N-]C.[Ti+3].
What is the InChIKey of CID 134889008?
The InChIKey is JWAJBRGDKGFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C2H6N.Ti/c1-6-4-2-3-5-6;3*1-3-2;/h2-5H,1H3;3*1-2H3;/q;3*-1;+3.
What are the key properties of CID 134889008?
CID 134889008 has a molecular weight of 259.22 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134889008 is sourced from PubChem (CID 134889008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).