1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol

C12H20N4O — CID 114383264

IUPAC1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1nnc(N(C)CC2(O)CCCC2)nc1C
InChIInChI=1S/C12H20N4O/c1-9-10(2)14-15-11(13-9)16(3)8-12(17)6-4-5-7-12/h17H,4-8H2,1-3H3
InChIKeyCZRTXPMRPRXEKG-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.23
Rot. Bonds3

About 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol

1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol (PubChem CID 114383264) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
PubChem CID114383264
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol
SMILESCc1nnc(N(C)CC2(O)CCCC2)nc1C
InChIInChI=1S/C12H20N4O/c1-9-10(2)14-15-11(13-9)16(3)8-12(17)6-4-5-7-12/h17H,4-8H2,1-3H3
InChIKeyCZRTXPMRPRXEKG-UHFFFAOYSA-N
XLogP1.23
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115774269
1-[[[4-(aminomethyl)pyrimidin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 107542282
ethyl 2-[(1-hydroxycyclopentyl)methyl-methylamino]-4-methylpyrimidine-5-carboxylate
CID 115967591
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
1-[[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]cyclopentan-1-ol
CID 114953966
5-[(1-hydroxycyclopentyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carboximidamide
CID 114949737
1-[[(6-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114953942
2-[(1-hydroxycyclopentyl)methyl-methylamino]-6-methylpyridine-4-carboxylic acid
CID 114949848
1-[[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 114947854
1-[[(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 103330744
1-[[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114954212
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471

Frequently Asked Questions

What is the IUPAC name of 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol (CID 114383264) is 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol is Cc1nnc(N(C)CC2(O)CCCC2)nc1C.
What is the InChIKey of 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is CZRTXPMRPRXEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-10(2)14-15-11(13-9)16(3)8-12(17)6-4-5-7-12/h17H,4-8H2,1-3H3.
What are the key properties of 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol?
1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 236.32 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5,6-dimethyl-1,2,4-triazin-3-yl)-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114383264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).