6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

C9H15N5O2 — CID 116653286

IUPAC6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(c1n[nH]c(=O)[nH]c1=O)C(CN)C1CC1
InChIInChI=1S/C9H15N5O2/c1-14(6(4-10)5-2-3-5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyGPPMSPXHAQIDQR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.37
Rot. Bonds4

About 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione

6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 116653286) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID116653286
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(c1n[nH]c(=O)[nH]c1=O)C(CN)C1CC1
InChIInChI=1S/C9H15N5O2/c1-14(6(4-10)5-2-3-5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16)
InChIKeyGPPMSPXHAQIDQR-UHFFFAOYSA-N
XLogP-1.37
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione (CID 116653286) is 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is CN(c1n[nH]c(=O)[nH]c1=O)C(CN)C1CC1.
What is the InChIKey of 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GPPMSPXHAQIDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-14(6(4-10)5-2-3-5)7-8(15)11-9(16)13-12-7/h5-6H,2-4,10H2,1H3,(H2,11,13,15,16).
What are the key properties of 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione?
6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 225.25 g/mol, XLogP of -1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-1-cyclopropylethyl)-methylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 116653286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).