3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide

C12H21N7O2 — CID 106179049

IUPAC3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
SMILESCCNc1nc(NCC(O)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N7O2/c1-2-14-10-16-11(15-7-8(20)9(13)21)18-12(17-10)19-5-3-4-6-19/h8,20H,2-7H2,1H3,(H2,13,21)(H2,14,15,16,17,18)
InChIKeyWVLRZVPGBPTETH-UHFFFAOYSA-N
MW295.35 g/mol
LogP-0.84
Rot. Bonds7

About 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide

3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide (PubChem CID 106179049) has the molecular formula C12H21N7O2 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
PubChem CID106179049
Molecular FormulaC12H21N7O2
Molecular Weight295.35 g/mol
Exact Mass295.18
IUPAC Name3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide
SMILESCCNc1nc(NCC(O)C(N)=O)nc(N2CCCC2)n1
InChIInChI=1S/C12H21N7O2/c1-2-14-10-16-11(15-7-8(20)9(13)21)18-12(17-10)19-5-3-4-6-19/h8,20H,2-7H2,1H3,(H2,13,21)(H2,14,15,16,17,18)
InChIKeyWVLRZVPGBPTETH-UHFFFAOYSA-N
XLogP-0.84
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide with MolForge

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Related Compounds

1-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80779055
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
CID 80794641
4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazine-2-carboxamide
CID 672103
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80779410
N-[2-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80775624
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
3-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178654
4-[[4-(ethylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80826794
2-[[4-(propylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
CID 80776199
3-[[(4-hydrazinyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]pentan-1-ol
CID 80929099

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide (CID 106179049) is 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide is CCNc1nc(NCC(O)C(N)=O)nc(N2CCCC2)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide?
The InChIKey is WVLRZVPGBPTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O2/c1-2-14-10-16-11(15-7-8(20)9(13)21)18-12(17-10)19-5-3-4-6-19/h8,20H,2-7H2,1H3,(H2,13,21)(H2,14,15,16,17,18).
What are the key properties of 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide?
3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide has a molecular weight of 295.35 g/mol, XLogP of -0.84, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106179049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).