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

C12H20N6O — CID 66283536

IUPAC7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(CCCN)c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H20N6O/c1-3-6-17(7-4-5-13)10-8-11-15-16-12(19)18(11)9(2)14-10/h8H,3-7,13H2,1-2H3,(H,16,19)
InChIKeyLEDFANPXAQYDNP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds6

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

7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283536) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283536
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(CCCN)c1cc2n[nH]c(=O)n2c(C)n1
InChIInChI=1S/C12H20N6O/c1-3-6-17(7-4-5-13)10-8-11-15-16-12(19)18(11)9(2)14-10/h8H,3-7,13H2,1-2H3,(H,16,19)
InChIKeyLEDFANPXAQYDNP-UHFFFAOYSA-N
XLogP0.29
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[ethyl-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]propanethioamide
CID 66282951
7-[2-bromoethyl(2,2-difluoroethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 107489713
5-methyl-7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283178
7-[1-hydroxypropan-2-yl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 104553700
7-[2-aminoethyl(butyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284505
3-[methyl-(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]butanenitrile
CID 66282563
7-[cyclopentyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282408
7-(hexylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281415
7-[(3-hydroxycyclobutyl)methyl-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284162
7-[(2-chloro-3-methoxypropyl)-methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66275135
7-[3-aminopropyl(methyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284445
7-[3-(ethylamino)butan-2-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66276434

Frequently Asked Questions

What is the IUPAC name of 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283536) is 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCN(CCCN)c1cc2n[nH]c(=O)n2c(C)n1.
What is the InChIKey of 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is LEDFANPXAQYDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-6-17(7-4-5-13)10-8-11-15-16-12(19)18(11)9(2)14-10/h8H,3-7,13H2,1-2H3,(H,16,19).
What are the key properties of 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 264.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-aminopropyl(propyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).