6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione

C9H13N7O2 — CID 54885222

IUPAC6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N7O2/c1-2-16-7(10)6(8(17)14-9(16)18)11-3-5-12-4-13-15-5/h4,11H,2-3,10H2,1H3,(H,12,13,15)(H,14,17,18)
InChIKeyFALDJZBFODCVME-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.13
Rot. Bonds4

About 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 54885222) has the molecular formula C9H13N7O2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
PubChem CID54885222
Molecular FormulaC9H13N7O2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N7O2/c1-2-16-7(10)6(8(17)14-9(16)18)11-3-5-12-4-13-15-5/h4,11H,2-3,10H2,1H3,(H,12,13,15)(H,14,17,18)
InChIKeyFALDJZBFODCVME-UHFFFAOYSA-N
XLogP-1.13
TPSA134.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione (CID 54885222) is 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione is CCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is FALDJZBFODCVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O2/c1-2-16-7(10)6(8(17)14-9(16)18)11-3-5-12-4-13-15-5/h4,11H,2-3,10H2,1H3,(H,12,13,15)(H,14,17,18).
What are the key properties of 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 251.25 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54885222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).