5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

C19H25N7 — CID 169375035

IUPAC5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cc(C)n(-c2ccccc2N2C(N)=NC(N)=NC23CCCCC3)n1
InChIInChI=1S/C19H25N7/c1-13-12-14(2)26(24-13)16-9-5-4-8-15(16)25-18(21)22-17(20)23-19(25)10-6-3-7-11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,20,21,22,23)
InChIKeyMMNOZNBYLDMAIW-UHFFFAOYSA-N
MW351.46 g/mol
LogP2.60
Rot. Bonds2

About 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine

5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (PubChem CID 169375035) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
PubChem CID169375035
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
SMILESCc1cc(C)n(-c2ccccc2N2C(N)=NC(N)=NC23CCCCC3)n1
InChIInChI=1S/C19H25N7/c1-13-12-14(2)26(24-13)16-9-5-4-8-15(16)25-18(21)22-17(20)23-19(25)10-6-3-7-11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,20,21,22,23)
InChIKeyMMNOZNBYLDMAIW-UHFFFAOYSA-N
XLogP2.60
TPSA97.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The IUPAC name of 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine (CID 169375035) is 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine.
What is the SMILES notation for 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The canonical SMILES for 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is Cc1cc(C)n(-c2ccccc2N2C(N)=NC(N)=NC23CCCCC3)n1.
What is the InChIKey of 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
The InChIKey is MMNOZNBYLDMAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-13-12-14(2)26(24-13)16-9-5-4-8-15(16)25-18(21)22-17(20)23-19(25)10-6-3-7-11-19/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H4,20,21,22,23).
What are the key properties of 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine?
5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine has a molecular weight of 351.46 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine is sourced from PubChem (CID 169375035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).