hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride

C11H11ClN6 — CID 69058745

IUPAChydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
SMILESNc1ncc(-c2ccc3cn[nH]c3c2)c(N)n1.[Cl-].[H+]
InChIInChI=1S/C11H10N6.ClH/c12-10-8(5-14-11(13)16-10)6-1-2-7-4-15-17-9(7)3-6;/h1-5H,(H,15,17)(H4,12,13,14,16);1H
InChIKeyAENUDOOQEXUJJV-UHFFFAOYSA-N
MW262.70 g/mol
LogP-1.70
Rot. Bonds1

About hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride

hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride (PubChem CID 69058745) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride.

Molecular Properties

Compound Namehydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
PubChem CID69058745
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Namehydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
SMILESNc1ncc(-c2ccc3cn[nH]c3c2)c(N)n1.[Cl-].[H+]
InChIInChI=1S/C11H10N6.ClH/c12-10-8(5-14-11(13)16-10)6-1-2-7-4-15-17-9(7)3-6;/h1-5H,(H,15,17)(H4,12,13,14,16);1H
InChIKeyAENUDOOQEXUJJV-UHFFFAOYSA-N
XLogP-1.70
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride?
The IUPAC name of hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride (CID 69058745) is hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride.
What is the SMILES notation for hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride?
The canonical SMILES for hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride is Nc1ncc(-c2ccc3cn[nH]c3c2)c(N)n1.[Cl-].[H+].
What is the InChIKey of hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride?
The InChIKey is AENUDOOQEXUJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6.ClH/c12-10-8(5-14-11(13)16-10)6-1-2-7-4-15-17-9(7)3-6;/h1-5H,(H,15,17)(H4,12,13,14,16);1H.
What are the key properties of hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride?
hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride has a molecular weight of 262.70 g/mol, XLogP of -1.70, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride is sourced from PubChem (CID 69058745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).