6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione

C9H16N4O3 — CID 61145738

IUPAC6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-6(2)13(4-3-5-14)7-8(15)10-9(16)12-11-7/h6,14H,3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyHPTPZLPOUOVWEM-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.94
Rot. Bonds5

About 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione

6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 61145738) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID61145738
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCCO)c1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H16N4O3/c1-6(2)13(4-3-5-14)7-8(15)10-9(16)12-11-7/h6,14H,3-5H2,1-2H3,(H2,10,12,15,16)
InChIKeyHPTPZLPOUOVWEM-UHFFFAOYSA-N
XLogP-0.94
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione (CID 61145738) is 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)N(CCCO)c1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is HPTPZLPOUOVWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-6(2)13(4-3-5-14)7-8(15)10-9(16)12-11-7/h6,14H,3-5H2,1-2H3,(H2,10,12,15,16).
What are the key properties of 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 228.25 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-hydroxypropyl(propan-2-yl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61145738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).