[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol

C12H23N7O — CID 80925382

IUPAC[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCN(C)c1nc(NN)nc(NCC2CCCC2CO)n1
InChIInChI=1S/C12H23N7O/c1-19(2)12-16-10(15-11(17-12)18-13)14-6-8-4-3-5-9(8)7-20/h8-9,20H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyQRNUEYCNJWVDQT-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.04
Rot. Bonds6

About [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol

[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 80925382) has the molecular formula C12H23N7O and a molecular weight of 281.36 g/mol. Its IUPAC name is [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
PubChem CID80925382
Molecular FormulaC12H23N7O
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCN(C)c1nc(NN)nc(NCC2CCCC2CO)n1
InChIInChI=1S/C12H23N7O/c1-19(2)12-16-10(15-11(17-12)18-13)14-6-8-4-3-5-9(8)7-20/h8-9,20H,3-7,13H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyQRNUEYCNJWVDQT-UHFFFAOYSA-N
XLogP0.04
TPSA112.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[[(2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80925618
[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368088
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]acetamide
CID 80932664
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
[2-[[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80923968
[2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368117
3-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80921975
6-chloro-2-N,2-N-dimethyl-4-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 62862573
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
1-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]-2-methylbutan-2-ol
CID 80915923
6-hydrazinyl-4-N,4-N-dimethyl-2-N-(3-methyl-2-propan-2-ylbutyl)-1,3,5-triazine-2,4-diamine
CID 102909000
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722

Frequently Asked Questions

What is the IUPAC name of [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (CID 80925382) is [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol is CN(C)c1nc(NN)nc(NCC2CCCC2CO)n1.
What is the InChIKey of [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is QRNUEYCNJWVDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N7O/c1-19(2)12-16-10(15-11(17-12)18-13)14-6-8-4-3-5-9(8)7-20/h8-9,20H,3-7,13H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 281.36 g/mol, XLogP of 0.04, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 80925382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).