4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride

C14H16ClN5O — CID 89389481

IUPAC4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
SMILESCn1ncc2c1CCCC2(O)C1=C2C=NC=C[NH+]2C=N1.[Cl-]
InChIInChI=1S/C14H15N5O.ClH/c1-18-11-3-2-4-14(20,10(11)7-17-18)13-12-8-15-5-6-19(12)9-16-13;/h5-9,20H,2-4H2,1H3;1H
InChIKeyZCVAKRRPRBIAKC-UHFFFAOYSA-N
MW305.77 g/mol
LogP-3.36
Rot. Bonds1

About 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride

4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride (PubChem CID 89389481) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride.

Molecular Properties

Compound Name4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
PubChem CID89389481
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride
SMILESCn1ncc2c1CCCC2(O)C1=C2C=NC=C[NH+]2C=N1.[Cl-]
InChIInChI=1S/C14H15N5O.ClH/c1-18-11-3-2-4-14(20,10(11)7-17-18)13-12-8-15-5-6-19(12)9-16-13;/h5-9,20H,2-4H2,1H3;1H
InChIKeyZCVAKRRPRBIAKC-UHFFFAOYSA-N
XLogP-3.36
TPSA67.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 5-3.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride?
The IUPAC name of 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride (CID 89389481) is 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride.
What is the SMILES notation for 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride?
The canonical SMILES for 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride is Cn1ncc2c1CCCC2(O)C1=C2C=NC=C[NH+]2C=N1.[Cl-].
What is the InChIKey of 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride?
The InChIKey is ZCVAKRRPRBIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O.ClH/c1-18-11-3-2-4-14(20,10(11)7-17-18)13-12-8-15-5-6-19(12)9-16-13;/h5-9,20H,2-4H2,1H3;1H.
What are the key properties of 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride?
4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride has a molecular weight of 305.77 g/mol, XLogP of -3.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-imidazo[1,5-a]pyrazin-4-ium-1-yl)-1-methyl-6,7-dihydro-5H-indazol-4-ol chloride is sourced from PubChem (CID 89389481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).