2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

C14H17N9O2 — CID 122515255

IUPAC2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(C(N)=O)n1
InChIInChI=1S/C14H17N9O2/c1-22-7-9(11(20-22)12(16)24)19-13(25)10-3-2-8-6-18-14(17-5-4-15)21-23(8)10/h2-3,6-7H,4-5,15H2,1H3,(H2,16,24)(H,17,21)(H,19,25)
InChIKeyRIEOQOKFWLOQOT-UHFFFAOYSA-N
MW343.35 g/mol
LogP-0.82
Rot. Bonds6

About 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide

2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (PubChem CID 122515255) has the molecular formula C14H17N9O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
PubChem CID122515255
Molecular FormulaC14H17N9O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide
SMILESCn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(C(N)=O)n1
InChIInChI=1S/C14H17N9O2/c1-22-7-9(11(20-22)12(16)24)19-13(25)10-3-2-8-6-18-14(17-5-4-15)21-23(8)10/h2-3,6-7H,4-5,15H2,1H3,(H2,16,24)(H,17,21)(H,19,25)
InChIKeyRIEOQOKFWLOQOT-UHFFFAOYSA-N
XLogP-0.82
TPSA158.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The IUPAC name of 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide (CID 122515255) is 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide.
What is the SMILES notation for 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The canonical SMILES for 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is Cn1cc(NC(=O)c2ccc3cnc(NCCN)nn23)c(C(N)=O)n1.
What is the InChIKey of 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
The InChIKey is RIEOQOKFWLOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N9O2/c1-22-7-9(11(20-22)12(16)24)19-13(25)10-3-2-8-6-18-14(17-5-4-15)21-23(8)10/h2-3,6-7H,4-5,15H2,1H3,(H2,16,24)(H,17,21)(H,19,25).
What are the key properties of 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide?
2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide has a molecular weight of 343.35 g/mol, XLogP of -0.82, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine-7-carboxamide is sourced from PubChem (CID 122515255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).