(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine

C14H15N5 — CID 118668809

IUPAC(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine
SMILESC=C1C[C@@H](C)C(c2ccc(-n3cnnc3)cc2)=NN1
InChIInChI=1S/C14H15N5/c1-10-7-11(2)17-18-14(10)12-3-5-13(6-4-12)19-8-15-16-9-19/h3-6,8-10,17H,2,7H2,1H3/t10-/m1/s1
InChIKeyCIVNXSPTAWCSDE-SNVBAGLBSA-N
MW253.31 g/mol
LogP2.11
Rot. Bonds2

About (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine

(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine (PubChem CID 118668809) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine.

Molecular Properties

Compound Name(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine
PubChem CID118668809
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine
SMILESC=C1C[C@@H](C)C(c2ccc(-n3cnnc3)cc2)=NN1
InChIInChI=1S/C14H15N5/c1-10-7-11(2)17-18-14(10)12-3-5-13(6-4-12)19-8-15-16-9-19/h3-6,8-10,17H,2,7H2,1H3/t10-/m1/s1
InChIKeyCIVNXSPTAWCSDE-SNVBAGLBSA-N
XLogP2.11
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine?
The IUPAC name of (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine (CID 118668809) is (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine.
What is the SMILES notation for (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine?
The canonical SMILES for (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine is C=C1C[C@@H](C)C(c2ccc(-n3cnnc3)cc2)=NN1.
What is the InChIKey of (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine?
The InChIKey is CIVNXSPTAWCSDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5/c1-10-7-11(2)17-18-14(10)12-3-5-13(6-4-12)19-8-15-16-9-19/h3-6,8-10,17H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine?
(4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine has a molecular weight of 253.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-methylidene-3-[4-(1,2,4-triazol-4-yl)phenyl]-4,5-dihydro-1H-pyridazine is sourced from PubChem (CID 118668809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).