1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione

C10H14N6O2 — CID 54884969

IUPAC1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N6O2/c1-15-5-7(9(17)16(2)10(15)18)3-11-4-8-12-6-13-14-8/h5-6,11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyHBPYOTFAVJHLTM-UHFFFAOYSA-N
MW250.26 g/mol
LogP-1.51
Rot. Bonds4

About 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione

1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 54884969) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione
PubChem CID54884969
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ncn[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N6O2/c1-15-5-7(9(17)16(2)10(15)18)3-11-4-8-12-6-13-14-8/h5-6,11H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyHBPYOTFAVJHLTM-UHFFFAOYSA-N
XLogP-1.51
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione (CID 54884969) is 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCc2ncn[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is HBPYOTFAVJHLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-15-5-7(9(17)16(2)10(15)18)3-11-4-8-12-6-13-14-8/h5-6,11H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 250.26 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1H-1,2,4-triazol-5-ylmethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54884969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).