7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C10H15N5O2 — CID 104553700

IUPAC7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(C)C(C)CO)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H15N5O2/c1-6(5-16)14(3)8-4-9-12-13-10(17)15(9)7(2)11-8/h4,6,16H,5H2,1-3H3,(H,13,17)
InChIKeyKDABHZZXRSMDHP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.46
Rot. Bonds3

About 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 104553700) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID104553700
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(C)C(C)CO)cc2n[nH]c(=O)n12
InChIInChI=1S/C10H15N5O2/c1-6(5-16)14(3)8-4-9-12-13-10(17)15(9)7(2)11-8/h4,6,16H,5H2,1-3H3,(H,13,17)
InChIKeyKDABHZZXRSMDHP-UHFFFAOYSA-N
XLogP-0.46
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 104553700) is 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N(C)C(C)CO)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KDABHZZXRSMDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(5-16)14(3)8-4-9-12-13-10(17)15(9)7(2)11-8/h4,6,16H,5H2,1-3H3,(H,13,17).
What are the key properties of 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 104553700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).