5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine

C18H25N5O2 — CID 29085524

IUPAC5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCC3(N4CCOCC4)CCCC3)n2)o1
InChIInChI=1S/C18H25N5O2/c1-14-4-5-16(25-14)15-12-20-22-17(21-15)19-13-18(6-2-3-7-18)23-8-10-24-11-9-23/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,21,22)
InChIKeySWBFBVAKXJKDTI-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.50
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine

5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine (PubChem CID 29085524) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine
PubChem CID29085524
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2cnnc(NCC3(N4CCOCC4)CCCC3)n2)o1
InChIInChI=1S/C18H25N5O2/c1-14-4-5-16(25-14)15-12-20-22-17(21-15)19-13-18(6-2-3-7-18)23-8-10-24-11-9-23/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,21,22)
InChIKeySWBFBVAKXJKDTI-UHFFFAOYSA-N
XLogP2.50
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine (CID 29085524) is 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine is Cc1ccc(-c2cnnc(NCC3(N4CCOCC4)CCCC3)n2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is SWBFBVAKXJKDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-4-5-16(25-14)15-12-20-22-17(21-15)19-13-18(6-2-3-7-18)23-8-10-24-11-9-23/h4-5,12H,2-3,6-11,13H2,1H3,(H,19,21,22).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine?
5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(1-morpholin-4-ylcyclopentyl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 29085524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).