3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide

C12H21N7O — CID 80787638

IUPAC3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NCCC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-14-10-16-11(15-6-5-9(13)20)18-12(17-10)19-7-3-2-4-8-19/h2-8H2,1H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeySZGQGPBVQYIOFQ-UHFFFAOYSA-N
MW279.35 g/mol
LogP0.19
Rot. Bonds6

About 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide

3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 80787638) has the molecular formula C12H21N7O and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID80787638
Molecular FormulaC12H21N7O
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide
SMILESCNc1nc(NCCC(N)=O)nc(N2CCCCC2)n1
InChIInChI=1S/C12H21N7O/c1-14-10-16-11(15-6-5-9(13)20)18-12(17-10)19-7-3-2-4-8-19/h2-8H2,1H3,(H2,13,20)(H2,14,15,16,17,18)
InChIKeySZGQGPBVQYIOFQ-UHFFFAOYSA-N
XLogP0.19
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide with MolForge

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Related Compounds

N-(4-acetamido-6-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 2730056
N-(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 2808474
1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117080796
2-Amino-4-carbamoylmethyl-6-piperidino-1,3,5-triazine
CID 616739
N-[6-[(4,6-diamino-1,3,5-triazin-2-yl)amino]hexyl]acetamide
CID 13627983
N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)propanamide
CID 91061727
1-[4-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone
CID 166070825
N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
CID 173123151
4,6-dimethoxy-N-(3-piperidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 11349247
N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 30465279
3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 55125563
2-[4-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)amino]piperidin-1-yl]acetamide
CID 62860167

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide (CID 80787638) is 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is CNc1nc(NCCC(N)=O)nc(N2CCCCC2)n1.
What is the InChIKey of 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is SZGQGPBVQYIOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7O/c1-14-10-16-11(15-6-5-9(13)20)18-12(17-10)19-7-3-2-4-8-19/h2-8H2,1H3,(H2,13,20)(H2,14,15,16,17,18).
What are the key properties of 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide?
3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 279.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 80787638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).