3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide

C19H24N8O2 — CID 89484514

IUPAC3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCCOC[C@H](N)CNc1nnc(C(N)=O)c(Nc2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C19H24N8O2/c1-3-29-10-13(20)9-22-19-25-18(16(17(21)28)26-27-19)24-14-6-7-15-12(8-14)5-4-11(2)23-15/h4-8,13H,3,9-10,20H2,1-2H3,(H2,21,28)(H2,22,24,25,27)/t13-/m1/s1
InChIKeyXZYPKLBRMWDZPF-CYBMUJFWSA-N
MW396.46 g/mol
LogP1.35
Rot. Bonds9

About 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide

3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide (PubChem CID 89484514) has the molecular formula C19H24N8O2 and a molecular weight of 396.46 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
PubChem CID89484514
Molecular FormulaC19H24N8O2
Molecular Weight396.46 g/mol
Exact Mass396.20
IUPAC Name3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide
SMILESCCOC[C@H](N)CNc1nnc(C(N)=O)c(Nc2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C19H24N8O2/c1-3-29-10-13(20)9-22-19-25-18(16(17(21)28)26-27-19)24-14-6-7-15-12(8-14)5-4-11(2)23-15/h4-8,13H,3,9-10,20H2,1-2H3,(H2,21,28)(H2,22,24,25,27)/t13-/m1/s1
InChIKeyXZYPKLBRMWDZPF-CYBMUJFWSA-N
XLogP1.35
TPSA153.96 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide (CID 89484514) is 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide is CCOC[C@H](N)CNc1nnc(C(N)=O)c(Nc2ccc3nc(C)ccc3c2)n1.
What is the InChIKey of 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
The InChIKey is XZYPKLBRMWDZPF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N8O2/c1-3-29-10-13(20)9-22-19-25-18(16(17(21)28)26-27-19)24-14-6-7-15-12(8-14)5-4-11(2)23-15/h4-8,13H,3,9-10,20H2,1-2H3,(H2,21,28)(H2,22,24,25,27)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide?
3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide has a molecular weight of 396.46 g/mol, XLogP of 1.35, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-3-ethoxypropyl]amino]-5-[(2-methylquinolin-6-yl)amino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 89484514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).