(4-imino-2,5-dimethyl-3-pyridinylidene)azanium

C7H10N3+ — CID 163619713

IUPAC(4-imino-2,5-dimethyl-3-pyridinylidene)azanium
SMILES[H]/N=C1/C(=[NH2+])C(C)=NC=C1C
InChIInChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/p+1/b8-6+,9-7?
InChIKeyHNBFBHSUBXYRCX-SLNLOJKFSA-O
MW136.18 g/mol
LogP-0.42
Rot. Bonds

About (4-imino-2,5-dimethyl-3-pyridinylidene)azanium

(4-imino-2,5-dimethyl-3-pyridinylidene)azanium (PubChem CID 163619713) has the molecular formula C7H10N3+ and a molecular weight of 136.18 g/mol. Its IUPAC name is (4-imino-2,5-dimethyl-3-pyridinylidene)azanium.

Molecular Properties

Compound Name(4-imino-2,5-dimethyl-3-pyridinylidene)azanium
PubChem CID163619713
Molecular FormulaC7H10N3+
Molecular Weight136.18 g/mol
Exact Mass136.09
IUPAC Name(4-imino-2,5-dimethyl-3-pyridinylidene)azanium
SMILES[H]/N=C1/C(=[NH2+])C(C)=NC=C1C
InChIInChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/p+1/b8-6+,9-7?
InChIKeyHNBFBHSUBXYRCX-SLNLOJKFSA-O
XLogP-0.42
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(Fluoromethyl)-2-methyl-3,4-dihydropyridine
CID 178841293
3,4-Dihydropyridin-5-ylmethanimine
CID 57049993
2,3-Diethylazete
CID 68135013
2,5-Dimethyl-3,4-dihydropyridine
CID 68215781
(E)-2-methyl-3-methyliminobut-1-en-1-amine
CID 88882934
4,7-Dimethyl-3,3a-dihydro-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 89162544
(Z)-(2-methyliminocyclohexylidene)methanamine
CID 89395344
3-methyl-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 90796579
4-N-ethylidene-3-methylbut-3-ene-2,4-diimine
CID 91293252
N-[(Z)-(2-iminocyclohexylidene)methyl]methanimidoyl iodide
CID 117734330
2,5-Dimethylpyridine-3,4-diimine
CID 122676871
2-N-ethyl-4-methylpent-4-ene-2,3-diimine
CID 123769443

Frequently Asked Questions

What is the IUPAC name of (4-imino-2,5-dimethyl-3-pyridinylidene)azanium?
The IUPAC name of (4-imino-2,5-dimethyl-3-pyridinylidene)azanium (CID 163619713) is (4-imino-2,5-dimethyl-3-pyridinylidene)azanium.
What is the SMILES notation for (4-imino-2,5-dimethyl-3-pyridinylidene)azanium?
The canonical SMILES for (4-imino-2,5-dimethyl-3-pyridinylidene)azanium is [H]/N=C1/C(=[NH2+])C(C)=NC=C1C.
What is the InChIKey of (4-imino-2,5-dimethyl-3-pyridinylidene)azanium?
The InChIKey is HNBFBHSUBXYRCX-SLNLOJKFSA-O. The full InChI is InChI=1S/C7H9N3/c1-4-3-10-5(2)7(9)6(4)8/h3,8-9H,1-2H3/p+1/b8-6+,9-7?.
What are the key properties of (4-imino-2,5-dimethyl-3-pyridinylidene)azanium?
(4-imino-2,5-dimethyl-3-pyridinylidene)azanium has a molecular weight of 136.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imino-2,5-dimethyl-3-pyridinylidene)azanium is sourced from PubChem (CID 163619713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).