10-(triazol-1-yl)pyrimido[1,2-a]indole

C13H9N5 — CID 156630829

IUPAC10-(triazol-1-yl)pyrimido[1,2-a]indole
SMILESc1ccc2c(c1)c(-n1ccnn1)c1ncccn12
InChIInChI=1S/C13H9N5/c1-2-5-11-10(4-1)12(18-9-7-15-16-18)13-14-6-3-8-17(11)13/h1-9H
InChIKeyIALQWDBFEJZANZ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.07
Rot. Bonds1

About 10-(triazol-1-yl)pyrimido[1,2-a]indole

10-(triazol-1-yl)pyrimido[1,2-a]indole (PubChem CID 156630829) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is 10-(triazol-1-yl)pyrimido[1,2-a]indole.

Molecular Properties

Compound Name10-(triazol-1-yl)pyrimido[1,2-a]indole
PubChem CID156630829
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name10-(triazol-1-yl)pyrimido[1,2-a]indole
SMILESc1ccc2c(c1)c(-n1ccnn1)c1ncccn12
InChIInChI=1S/C13H9N5/c1-2-5-11-10(4-1)12(18-9-7-15-16-18)13-14-6-3-8-17(11)13/h1-9H
InChIKeyIALQWDBFEJZANZ-UHFFFAOYSA-N
XLogP2.07
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3,6-diazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2,4,7,9,11,14,16,18,20-decaene
CID 58162847
12-methylimidazo[1,2-f]phenanthridine
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3-(triazol-1-yl)pyridin-2-amine
CID 84651207
1,9,15-triazatetracyclo[12.4.0.02,7.08,13]octadeca-2,4,6,8(13),9,11,14,17-octaen-16-one
CID 90254240
9-phenylimidazo[1,2-f]phenanthridine
CID 59358454
CID 58262168
CID 58262168
9-methylpyrido[2,3-b]indole
CID 12596580
imidazo[1,2-f]phenanthridin-7-amine
CID 138528854
5-phenylimidazo[1,2-a]quinoline-4-carboxylic acid
CID 16755283

Frequently Asked Questions

What is the IUPAC name of 10-(triazol-1-yl)pyrimido[1,2-a]indole?
The IUPAC name of 10-(triazol-1-yl)pyrimido[1,2-a]indole (CID 156630829) is 10-(triazol-1-yl)pyrimido[1,2-a]indole.
What is the SMILES notation for 10-(triazol-1-yl)pyrimido[1,2-a]indole?
The canonical SMILES for 10-(triazol-1-yl)pyrimido[1,2-a]indole is c1ccc2c(c1)c(-n1ccnn1)c1ncccn12.
What is the InChIKey of 10-(triazol-1-yl)pyrimido[1,2-a]indole?
The InChIKey is IALQWDBFEJZANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5/c1-2-5-11-10(4-1)12(18-9-7-15-16-18)13-14-6-3-8-17(11)13/h1-9H.
What are the key properties of 10-(triazol-1-yl)pyrimido[1,2-a]indole?
10-(triazol-1-yl)pyrimido[1,2-a]indole has a molecular weight of 235.25 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(triazol-1-yl)pyrimido[1,2-a]indole is sourced from PubChem (CID 156630829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).