2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

C8H7ClN4O — CID 166941626

IUPAC2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
SMILESCNc1nc(Cl)nn2c(C=O)ccc12
InChIInChI=1S/C8H7ClN4O/c1-10-7-6-3-2-5(4-14)13(6)12-8(9)11-7/h2-4H,1H3,(H,10,11,12)
InChIKeySZICDQQTWBEFIF-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.24
Rot. Bonds2

About 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde

2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde (PubChem CID 166941626) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
PubChem CID166941626
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
SMILESCNc1nc(Cl)nn2c(C=O)ccc12
InChIInChI=1S/C8H7ClN4O/c1-10-7-6-3-2-5(4-14)13(6)12-8(9)11-7/h2-4H,1H3,(H,10,11,12)
InChIKeySZICDQQTWBEFIF-UHFFFAOYSA-N
XLogP1.24
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde?
The IUPAC name of 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde (CID 166941626) is 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde?
The canonical SMILES for 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde is CNc1nc(Cl)nn2c(C=O)ccc12.
What is the InChIKey of 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde?
The InChIKey is SZICDQQTWBEFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c1-10-7-6-3-2-5(4-14)13(6)12-8(9)11-7/h2-4H,1H3,(H,10,11,12).
What are the key properties of 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde?
2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde has a molecular weight of 210.62 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methylamino)pyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde is sourced from PubChem (CID 166941626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).