(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid

C14H15N5O2 — CID 170348101

IUPAC(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid
SMILESCc1nc2n(n1)-c1cccc(NC(=O)O)c1N(C)C21CC1
InChIInChI=1S/C14H15N5O2/c1-8-15-12-14(6-7-14)18(2)11-9(16-13(20)21)4-3-5-10(11)19(12)17-8/h3-5,16H,6-7H2,1-2H3,(H,20,21)
InChIKeyHPDUGIWELLVLJL-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.10
Rot. Bonds1

About (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid

(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid (PubChem CID 170348101) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid.

Molecular Properties

Compound Name(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid
PubChem CID170348101
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid
SMILESCc1nc2n(n1)-c1cccc(NC(=O)O)c1N(C)C21CC1
InChIInChI=1S/C14H15N5O2/c1-8-15-12-14(6-7-14)18(2)11-9(16-13(20)21)4-3-5-10(11)19(12)17-8/h3-5,16H,6-7H2,1-2H3,(H,20,21)
InChIKeyHPDUGIWELLVLJL-UHFFFAOYSA-N
XLogP2.10
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid?
The IUPAC name of (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid (CID 170348101) is (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid.
What is the SMILES notation for (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid?
The canonical SMILES for (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid is Cc1nc2n(n1)-c1cccc(NC(=O)O)c1N(C)C21CC1.
What is the InChIKey of (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid?
The InChIKey is HPDUGIWELLVLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-8-15-12-14(6-7-14)18(2)11-9(16-13(20)21)4-3-5-10(11)19(12)17-8/h3-5,16H,6-7H2,1-2H3,(H,20,21).
What are the key properties of (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid?
(2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid has a molecular weight of 285.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-yl)carbamic acid is sourced from PubChem (CID 170348101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).