1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

C10H14ClN5O2 — CID 55124177

IUPAC1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-18-10-14-8(11)13-9(15-10)16-5-3-4-6(16)7(12)17/h6H,2-5H2,1H3,(H2,12,17)
InChIKeyLTOXHXBSCGOYHQ-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.38
Rot. Bonds4

About 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 55124177) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
PubChem CID55124177
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide
SMILESCCOc1nc(Cl)nc(N2CCCC2C(N)=O)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-18-10-14-8(11)13-9(15-10)16-5-3-4-6(16)7(12)17/h6H,2-5H2,1H3,(H2,12,17)
InChIKeyLTOXHXBSCGOYHQ-UHFFFAOYSA-N
XLogP0.38
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 55124180
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62858342
ethyl 1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxylate
CID 62858505
1-(4,6-dichloro-1,3,5-triazin-2-yl)piperidine-2-carboxamide
CID 62868559
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperidine-3-carboxamide
CID 62859553
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 62858177
ethyl 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazine-1-carboxylate
CID 107877533
2-chloro-4-ethoxy-6-(3-ethylpiperidin-1-yl)-1,3,5-triazine
CID 62857566
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-ethoxy-1,3,5-triazin-2-amine
CID 102729128
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
CID 55215774
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
2-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862485

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide (CID 55124177) is 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is CCOc1nc(Cl)nc(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is LTOXHXBSCGOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-2-18-10-14-8(11)13-9(15-10)16-5-3-4-6(16)7(12)17/h6H,2-5H2,1H3,(H2,12,17).
What are the key properties of 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide?
1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55124177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).