3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

C10H18N4O2 — CID 136768290

IUPAC3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(Cc1n[nH]c(=O)[nH]1)CC1CCCC1O
InChIInChI=1S/C10H18N4O2/c1-14(5-7-3-2-4-8(7)15)6-9-11-10(16)13-12-9/h7-8,15H,2-6H2,1H3,(H2,11,12,13,16)
InChIKeyAAPPCJZEZXUGPQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.31
Rot. Bonds4

About 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one

3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136768290) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136768290
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCN(Cc1n[nH]c(=O)[nH]1)CC1CCCC1O
InChIInChI=1S/C10H18N4O2/c1-14(5-7-3-2-4-8(7)15)6-9-11-10(16)13-12-9/h7-8,15H,2-6H2,1H3,(H2,11,12,13,16)
InChIKeyAAPPCJZEZXUGPQ-UHFFFAOYSA-N
XLogP-0.31
TPSA85.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S,3R,4R)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 132327989
3-[[4-(1-Hydroxyethyl)piperidin-1-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136768240
N-[[(1S,2S,4R)-2-hydroxy-4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)cyclopentyl]methyl]acetamide
CID 146153021
3-[3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 167994634
rac-3-[(1R,3S,4S)-3-(aminomethyl)-4-hydroxycyclopentyl]-4-ethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 178202652

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136768290) is 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is CN(Cc1n[nH]c(=O)[nH]1)CC1CCCC1O.
What is the InChIKey of 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is AAPPCJZEZXUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-14(5-7-3-2-4-8(7)15)6-9-11-10(16)13-12-9/h7-8,15H,2-6H2,1H3,(H2,11,12,13,16).
What are the key properties of 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 226.28 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxycyclopentyl)methyl-methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).