1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol

C9H16N6O — CID 60669690

IUPAC1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
SMILESNc1nc(N)nc(CN2CCCC(O)C2)n1
InChIInChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2,(H4,10,11,12,13,14)
InChIKeyYSKKRTNHZABMEE-UHFFFAOYSA-N
MW224.27 g/mol
LogP-1.01
Rot. Bonds2

About 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol

1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol (PubChem CID 60669690) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
PubChem CID60669690
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol
SMILESNc1nc(N)nc(CN2CCCC(O)C2)n1
InChIInChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2,(H4,10,11,12,13,14)
InChIKeyYSKKRTNHZABMEE-UHFFFAOYSA-N
XLogP-1.01
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787472
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
4-Piperazin-1-yl-1-(1,3,5-triazin-2-yl)butan-1-ol
CID 68381564
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-4-ol
CID 18124363
2-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084403
2-[4-[(1S)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 40084405
1-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-ol
CID 47129740
1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-4-ol
CID 60670253
2-[4-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
CID 60670291
[1-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]piperidin-2-yl]methanol
CID 60685082
2-[Butyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60689088
2-[Cyclohexyl-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]amino]ethanol
CID 60694589

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol (CID 60669690) is 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol is Nc1nc(N)nc(CN2CCCC(O)C2)n1.
What is the InChIKey of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol?
The InChIKey is YSKKRTNHZABMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c10-8-12-7(13-9(11)14-8)5-15-3-1-2-6(16)4-15/h6,16H,1-5H2,(H4,10,11,12,13,14).
What are the key properties of 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol?
1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol has a molecular weight of 224.27 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 60669690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).