4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C20H25N7O2 — CID 71225374

IUPAC4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccnc(CCO)c3)cc(C(=O)NC3CCC(N)CC3)c12
InChIInChI=1S/C20H25N7O2/c21-13-1-3-14(4-2-13)26-20(29)16-10-17(27-18(16)19(22)24-11-25-27)12-5-7-23-15(9-12)6-8-28/h5,7,9-11,13-14,28H,1-4,6,8,21H2,(H,26,29)(H2,22,24,25)
InChIKeyCRBYQGKQHSXMAX-UHFFFAOYSA-N
MW395.47 g/mol
LogP0.91
Rot. Bonds5

About 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 71225374) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID71225374
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESNc1ncnn2c(-c3ccnc(CCO)c3)cc(C(=O)NC3CCC(N)CC3)c12
InChIInChI=1S/C20H25N7O2/c21-13-1-3-14(4-2-13)26-20(29)16-10-17(27-18(16)19(22)24-11-25-27)12-5-7-23-15(9-12)6-8-28/h5,7,9-11,13-14,28H,1-4,6,8,21H2,(H,26,29)(H2,22,24,25)
InChIKeyCRBYQGKQHSXMAX-UHFFFAOYSA-N
XLogP0.91
TPSA144.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 71225374) is 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is Nc1ncnn2c(-c3ccnc(CCO)c3)cc(C(=O)NC3CCC(N)CC3)c12.
What is the InChIKey of 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is CRBYQGKQHSXMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c21-13-1-3-14(4-2-13)26-20(29)16-10-17(27-18(16)19(22)24-11-25-27)12-5-7-23-15(9-12)6-8-28/h5,7,9-11,13-14,28H,1-4,6,8,21H2,(H,26,29)(H2,22,24,25).
What are the key properties of 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-aminocyclohexyl)-7-[2-(2-hydroxyethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 71225374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).