N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine

C9H13N5O — CID 58607302

IUPACN,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine
SMILESCc1cn2nc(C)n(N(C)C)c2c1N=O
InChIInChI=1S/C9H13N5O/c1-6-5-13-9(8(6)11-15)14(12(3)4)7(2)10-13/h5H,1-4H3
InChIKeyIEXFSYWOKIXCHW-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.35
Rot. Bonds2

About N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine

N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine (PubChem CID 58607302) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine.

Molecular Properties

Compound NameN,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine
PubChem CID58607302
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine
SMILESCc1cn2nc(C)n(N(C)C)c2c1N=O
InChIInChI=1S/C9H13N5O/c1-6-5-13-9(8(6)11-15)14(12(3)4)7(2)10-13/h5H,1-4H3
InChIKeyIEXFSYWOKIXCHW-UHFFFAOYSA-N
XLogP1.35
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 58607304
CID 58607304
CID 58880679
CID 58880679
CID 69459345
CID 69459345
CID 69459937
CID 69459937
CID 69460677
CID 69460677
CID 69461937
CID 69461937
CID 140500115
CID 140500115
CID 143196294
CID 143196294

Frequently Asked Questions

What is the IUPAC name of N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine?
The IUPAC name of N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine (CID 58607302) is N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine.
What is the SMILES notation for N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine?
The canonical SMILES for N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine is Cc1cn2nc(C)n(N(C)C)c2c1N=O.
What is the InChIKey of N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine?
The InChIKey is IEXFSYWOKIXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-5-13-9(8(6)11-15)14(12(3)4)7(2)10-13/h5H,1-4H3.
What are the key properties of N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine?
N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine has a molecular weight of 207.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,6-tetramethyl-7-nitrosopyrrolo[1,2-b][1,2,4]triazol-1-amine is sourced from PubChem (CID 58607302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).