potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine

C11H10KN4- — CID 153358363

IUPACpotassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine
SMILESNc1ncnc2c1[nH]c1cc[c-]cc12.[CH3-].[K+]
InChIInChI=1S/C10H7N4.CH3.K/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9;;/h2-5,14H,(H2,11,12,13);1H3;/q2*-1;+1
InChIKeyYAFUJFJCBGZZGK-UHFFFAOYSA-N
MW237.33 g/mol
LogP-1.05
Rot. Bonds

About potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine

potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine (PubChem CID 153358363) has the molecular formula C11H10KN4- and a molecular weight of 237.33 g/mol. Its IUPAC name is potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine.

Molecular Properties

Compound Namepotassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine
PubChem CID153358363
Molecular FormulaC11H10KN4-
Molecular Weight237.33 g/mol
Exact Mass237.05
IUPAC Namepotassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine
SMILESNc1ncnc2c1[nH]c1cc[c-]cc12.[CH3-].[K+]
InChIInChI=1S/C10H7N4.CH3.K/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9;;/h2-5,14H,(H2,11,12,13);1H3;/q2*-1;+1
InChIKeyYAFUJFJCBGZZGK-UHFFFAOYSA-N
XLogP-1.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine?
The IUPAC name of potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine (CID 153358363) is potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine.
What is the SMILES notation for potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine?
The canonical SMILES for potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine is Nc1ncnc2c1[nH]c1cc[c-]cc12.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine?
The InChIKey is YAFUJFJCBGZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N4.CH3.K/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9;;/h2-5,14H,(H2,11,12,13);1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine?
potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine has a molecular weight of 237.33 g/mol, XLogP of -1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;5,8-dihydropyrimido[5,4-b]indol-8-id-4-amine is sourced from PubChem (CID 153358363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).