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

C12H18N6O — CID 66281413

IUPAC7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCN(C)C2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H18N6O/c1-8-14-10(7-11-15-16-12(19)18(8)11)13-5-6-17(2)9-3-4-9/h7,9,13H,3-6H2,1-2H3,(H,16,19)
InChIKeyMDVYHLOQQKHAGV-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.23
Rot. Bonds5

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

7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281413) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281413
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NCCN(C)C2CC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C12H18N6O/c1-8-14-10(7-11-15-16-12(19)18(8)11)13-5-6-17(2)9-3-4-9/h7,9,13H,3-6H2,1-2H3,(H,16,19)
InChIKeyMDVYHLOQQKHAGV-UHFFFAOYSA-N
XLogP0.23
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281413) is 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NCCN(C)C2CC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is MDVYHLOQQKHAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-14-10(7-11-15-16-12(19)18(8)11)13-5-6-17(2)9-3-4-9/h7,9,13H,3-6H2,1-2H3,(H,16,19).
What are the key properties of 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[cyclopropyl(methyl)amino]ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).