7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C17H20N6 — CID 99926894

About 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 99926894) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• PubChem CID: 99926894
• Molecular Formula: C17H20N6
• Molecular Weight: 308.39 g/mol
• Exact Mass: 308.17
• IUPAC Name: 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
• SMILES: C[C@H](c1cccc(-c2cc3nncn3c(N)n2)c1)N1CCCC1
• InChI: InChI=1S/C17H20N6/c1-12(22-7-2-3-8-22)13-5-4-6-14(9-13)15-10-16-21-19-11-23(16)17(18)20-15/h4-6,9-12H,2-3,7-8H2,1H3,(H2,18,20)/t12-/m1/s1
• InChIKey: QMHRZLPALDBSCD-GFCCVEGCSA-N
• XLogP: 2.53
• TPSA: 72.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.39
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The IUPAC name of 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 99926894) is 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

What is the SMILES notation for 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The canonical SMILES for 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is C[C@H](c1cccc(-c2cc3nncn3c(N)n2)c1)N1CCCC1.

What is the InChIKey of 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

The InChIKey is QMHRZLPALDBSCD-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6/c1-12(22-7-2-3-8-22)13-5-4-6-14(9-13)15-10-16-21-19-11-23(16)17(18)20-15/h4-6,9-12H,2-3,7-8H2,1H3,(H2,18,20)/t12-/m1/s1.

What are the key properties of 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?

7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 308.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 99926894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).