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

C10H15N7O2 — CID 54885221

IUPAC6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N7O2/c1-2-3-17-8(11)7(9(18)15-10(17)19)12-4-6-13-5-14-16-6/h5,12H,2-4,11H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeySHLNKNYUOUFADS-UHFFFAOYSA-N
MW265.28 g/mol
LogP-0.74
Rot. Bonds5

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

6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 54885221) has the molecular formula C10H15N7O2 and a molecular weight of 265.28 g/mol. Its IUPAC name is 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
PubChem CID54885221
Molecular FormulaC10H15N7O2
Molecular Weight265.28 g/mol
Exact Mass265.13
IUPAC Name6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C10H15N7O2/c1-2-3-17-8(11)7(9(18)15-10(17)19)12-4-6-13-5-14-16-6/h5,12H,2-4,11H2,1H3,(H,13,14,16)(H,15,18,19)
InChIKeySHLNKNYUOUFADS-UHFFFAOYSA-N
XLogP-0.74
TPSA134.48 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione (CID 54885221) is 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione is CCCn1c(N)c(NCc2ncn[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is SHLNKNYUOUFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2/c1-2-3-17-8(11)7(9(18)15-10(17)19)12-4-6-13-5-14-16-6/h5,12H,2-4,11H2,1H3,(H,13,14,16)(H,15,18,19).
What are the key properties of 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 265.28 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-5-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 54885221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).