CID 174065515

C6H9BN2 — CID 174065515

IUPAC—
SMILES[B]C1=NC(N)=CC[C@H]1C
InChIInChI=1S/C6H9BN2/c1-4-2-3-5(8)9-6(4)7/h3-4H,2,8H2,1H3/t4-/m1/s1
InChIKeyCOYMRTIPBFVBQV-SCSAIBSYSA-N
MW119.96 g/mol
LogP0.39
Rot. Bonds

About CID 174065515

CID 174065515 (PubChem CID 174065515) has the molecular formula C6H9BN2 and a molecular weight of 119.96 g/mol.

Molecular Properties

Compound NameCID 174065515
PubChem CID174065515
Molecular FormulaC6H9BN2
Molecular Weight119.96 g/mol
Exact Mass120.09
IUPAC Name—
SMILES[B]C1=NC(N)=CC[C@H]1C
InChIInChI=1S/C6H9BN2/c1-4-2-3-5(8)9-6(4)7/h3-4H,2,8H2,1H3/t4-/m1/s1
InChIKeyCOYMRTIPBFVBQV-SCSAIBSYSA-N
XLogP0.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.96
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 174065515 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

(4S)-4-methylcyclobuten-1-amine
CID 164996658
2,3,6-trimethyl-3,4-dihydropyridine
CID 77393437
5-ethyl-4-methylcyclohexa-1,5-dien-1-amine
CID 163507973
4-methyl-3,4-dihydropyridin-6-amine
CID 89299127
(1E,5Z,7Z)-6,8-dichloro-3-methyl-2-propylsulfanyl-3,4-dihydroazocin-7-amine
CID 144730432
(5E,7E)-2-amino-3,6,8-trimethyl-3,4-dihydroazocine-7-carbonitrile
CID 144779752
2-N,2-N,6-N,6-N,3-pentamethyl-3,4-dihydropyridine-2,6-diamine
CID 139544197
3-methyl-3,4-dihydropyridin-2-amine
CID 146237625
8-amino-5-methyl-5,6-dihydronaphthalen-2-ol
CID 163433999
6-methyl-3-nitrocyclohexa-1,3-dien-1-amine
CID 88976723
(4R)-4-methyl-4,5-dihydropyridazine
CID 172589325
(4R)-1-but-3-enyl-4-methylcyclobutene
CID 140872621

Frequently Asked Questions

What is the IUPAC name of CID 174065515?
The IUPAC name of CID 174065515 (CID 174065515) is not available.
What is the SMILES notation for CID 174065515?
The canonical SMILES for CID 174065515 is [B]C1=NC(N)=CC[C@H]1C.
What is the InChIKey of CID 174065515?
The InChIKey is COYMRTIPBFVBQV-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9BN2/c1-4-2-3-5(8)9-6(4)7/h3-4H,2,8H2,1H3/t4-/m1/s1.
What are the key properties of CID 174065515?
CID 174065515 has a molecular weight of 119.96 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174065515 is sourced from PubChem (CID 174065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).