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

C10H19N7O — CID 60670291

IUPAC2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1nc(N)nc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C10H19N7O/c11-9-13-8(14-10(12)15-9)7-17-3-1-16(2-4-17)5-6-18/h18H,1-7H2,(H4,11,12,13,14,15)
InChIKeyHYDDOTIDHGQTPI-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.85
Rot. Bonds4

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

2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol (PubChem CID 60670291) has the molecular formula C10H19N7O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
PubChem CID60670291
Molecular FormulaC10H19N7O
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol
SMILESNc1nc(N)nc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C10H19N7O/c11-9-13-8(14-10(12)15-9)7-17-3-1-16(2-4-17)5-6-18/h18H,1-7H2,(H4,11,12,13,14,15)
InChIKeyHYDDOTIDHGQTPI-UHFFFAOYSA-N
XLogP-1.85
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,5-Triazin-2-amine, 4-methoxy-6-(4-morpholinylmethyl)-
CID 199954
1-Piperazineethanol, 4-(4-amino-6-trifluoromethyl-2-s-triazinyl)-
CID 3041956
4-(Methoxymethyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155545099
4-[(4-Ethylpiperazin-1-yl)methyl]-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 16490511
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103857860
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864972
2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485352
2-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485609
3-[4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-1-yl]-2,2-difluoropropan-1-ol
CID 131962944
2-N,2-N-dimethyl-6-(morpholin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 34680199
2-[4-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperazin-1-yl]ethanol
CID 42926008
2,2'-((4-Amino-6-methoxy-1,3,5-triazin-2-yl)methylimino)diethanol
CID 587885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol (CID 60670291) is 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol is Nc1nc(N)nc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol?
The InChIKey is HYDDOTIDHGQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N7O/c11-9-13-8(14-10(12)15-9)7-17-3-1-16(2-4-17)5-6-18/h18H,1-7H2,(H4,11,12,13,14,15).
What are the key properties of 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol has a molecular weight of 253.31 g/mol, XLogP of -1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 60670291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).