6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione

C7H10N4O2 — CID 43431818

IUPAC6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2/c12-6-5(8-3-4-1-2-4)10-11-7(13)9-6/h4H,1-3H2,(H,8,10)(H2,9,11,12,13)
InChIKeyPROCRBFBCXZXLN-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.72
Rot. Bonds3

About 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione

6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 43431818) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID43431818
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NCC2CC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2/c12-6-5(8-3-4-1-2-4)10-11-7(13)9-6/h4H,1-3H2,(H,8,10)(H2,9,11,12,13)
InChIKeyPROCRBFBCXZXLN-UHFFFAOYSA-N
XLogP-0.72
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione (CID 43431818) is 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NCC2CC2)c(=O)[nH]1.
What is the InChIKey of 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PROCRBFBCXZXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-6-5(8-3-4-1-2-4)10-11-7(13)9-6/h4H,1-3H2,(H,8,10)(H2,9,11,12,13).
What are the key properties of 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43431818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).