3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane

C6H13N5O — CID 145368026

IUPAC3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane
SMILESCC.NCc1nnc(N)[nH]c1=O
InChIInChI=1S/C4H7N5O.C2H6/c5-1-2-3(10)7-4(6)9-8-2;1-2/h1,5H2,(H3,6,7,9,10);1-2H3
InChIKeyVZGOLXILJTXNAL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.77
Rot. Bonds1

About 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane

3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane (PubChem CID 145368026) has the molecular formula C6H13N5O and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane.

Molecular Properties

Compound Name3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane
PubChem CID145368026
Molecular FormulaC6H13N5O
Molecular Weight171.20 g/mol
Exact Mass171.11
IUPAC Name3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane
SMILESCC.NCc1nnc(N)[nH]c1=O
InChIInChI=1S/C4H7N5O.C2H6/c5-1-2-3(10)7-4(6)9-8-2;1-2/h1,5H2,(H3,6,7,9,10);1-2H3
InChIKeyVZGOLXILJTXNAL-UHFFFAOYSA-N
XLogP-0.77
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)propanoate
CID 135439380
2-[2-[(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)methylamino]-2-oxoethoxy]ethyl benzoate
CID 135746973
3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
CID 117274834
2-amino-5-(2-bromoethyl)-4-methyl-1H-pyrimidin-6-one
CID 135442066
4-(aminomethyl)-1,2,5-oxadiazol-3-one
CID 132933742
N'-(3-amino-5-oxo-4H-1,2,4-triazin-6-yl)heptanehydrazide
CID 135438153
2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135398563
2,5-diamino-4-(ethylamino)-1H-pyrimidin-6-one
CID 137221313
3-(4-chlorophenyl)-6-ethyl-4H-1,2,4-triazin-5-one
CID 137153709
2-amino-5-chloro-4-methyl-1H-pyrimidin-6-one
CID 135905258
2-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 155776253
3-amino-6-[3-[(1S,5S)-9-(5-methylhexanoyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-3-oxopropyl]-4H-1,2,4-triazin-5-one
CID 165418797

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane?
The IUPAC name of 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane (CID 145368026) is 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane.
What is the SMILES notation for 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane?
The canonical SMILES for 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane is CC.NCc1nnc(N)[nH]c1=O.
What is the InChIKey of 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane?
The InChIKey is VZGOLXILJTXNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O.C2H6/c5-1-2-3(10)7-4(6)9-8-2;1-2/h1,5H2,(H3,6,7,9,10);1-2H3.
What are the key properties of 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane?
3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane has a molecular weight of 171.20 g/mol, XLogP of -0.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(aminomethyl)-4H-1,2,4-triazin-5-one;ethane is sourced from PubChem (CID 145368026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).