2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C19H19N5O2 — CID 10193594

IUPAC2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CCCc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21)
InChIKeyBPYGIENYELRRQQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.15
Rot. Bonds6

About 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 10193594) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID10193594
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOc1ccc(CCCc2cc3nc(-c4ccco4)nn3c(N)n2)cc1
InChIInChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21)
InChIKeyBPYGIENYELRRQQ-UHFFFAOYSA-N
XLogP3.15
TPSA91.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 10193594) is 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COc1ccc(CCCc2cc3nc(-c4ccco4)nn3c(N)n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is BPYGIENYELRRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-25-15-9-7-13(8-10-15)4-2-5-14-12-17-22-18(16-6-3-11-26-16)23-24(17)19(20)21-14/h3,6-12H,2,4-5H2,1H3,(H2,20,21).
What are the key properties of 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 349.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 10193594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).