6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione

C9H14N4O3 — CID 114749618

IUPAC6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-4-3-9(1-2-9)5-10-6-7(15)11-8(16)13-12-6/h14H,1-5H2,(H,10,12)(H2,11,13,15,16)
InChIKeyDCUGFMXWTGAAKQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.97
Rot. Bonds5

About 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione

6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 114749618) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID114749618
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2(CCO)CC2)c(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c14-4-3-9(1-2-9)5-10-6-7(15)11-8(16)13-12-6/h14H,1-5H2,(H,10,12)(H2,11,13,15,16)
InChIKeyDCUGFMXWTGAAKQ-UHFFFAOYSA-N
XLogP-0.97
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(hydroxymethyl)piperidin-1-yl]-2H-1,2,4-triazine-3,5-dione
CID 60965240
6-[(2-cyclopropyl-2-hydroxyethyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63239466
6-[(4-hydroxy-2-methylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 66106889
6-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 79479317
6-(5-hydroxypentan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 80295162
6-[(2-ethyl-4-hydroxybutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 80296871
6-[(4-hydroxy-2,2-dimethylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103705310
6-[(1-ethylcyclopropyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103736786
6-[(4-methyloxan-4-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103743063
6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 103746149
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione
CID 103794734
6-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 103844412

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione (CID 114749618) is 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2(CCO)CC2)c(=O)[nH]1.
What is the InChIKey of 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DCUGFMXWTGAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-4-3-9(1-2-9)5-10-6-7(15)11-8(16)13-12-6/h14H,1-5H2,(H,10,12)(H2,11,13,15,16).
What are the key properties of 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.24 g/mol, XLogP of -0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 114749618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).