3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine

C12H14N4 — CID 174021301

IUPAC3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc2c(C)cnn2c1
InChIInChI=1S/C12H14N4/c1-9-6-15-16-8-10(3-4-12(9)16)11(5-13)7-14-2/h3-8H,13H2,1-2H3/b11-5?,14-7+
InChIKeyVBMQPTNWDYMHEN-OAQRUSBHSA-N
MW214.27 g/mol
LogP1.64
Rot. Bonds2

About 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine

3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine (PubChem CID 174021301) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine
PubChem CID174021301
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine
SMILESC/N=C/C(=CN)c1ccc2c(C)cnn2c1
InChIInChI=1S/C12H14N4/c1-9-6-15-16-8-10(3-4-12(9)16)11(5-13)7-14-2/h3-8H,13H2,1-2H3/b11-5?,14-7+
InChIKeyVBMQPTNWDYMHEN-OAQRUSBHSA-N
XLogP1.64
TPSA55.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine?
The IUPAC name of 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine (CID 174021301) is 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine?
The canonical SMILES for 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine is C/N=C/C(=CN)c1ccc2c(C)cnn2c1.
What is the InChIKey of 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine?
The InChIKey is VBMQPTNWDYMHEN-OAQRUSBHSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-6-15-16-8-10(3-4-12(9)16)11(5-13)7-14-2/h3-8H,13H2,1-2H3/b11-5?,14-7+.
What are the key properties of 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine?
3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine has a molecular weight of 214.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-2-(3-methylpyrazolo[1,5-a]pyridin-6-yl)prop-1-en-1-amine is sourced from PubChem (CID 174021301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).