6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one

C5H6N8O — CID 137180961

IUPAC6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one
SMILESNc1nc(Nn2cnnc2)nc(=O)[nH]1
InChIInChI=1S/C5H6N8O/c6-3-9-4(11-5(14)10-3)12-13-1-7-8-2-13/h1-2H,(H4,6,9,10,11,12,14)
InChIKeyQRNFHALXNMNUMM-UHFFFAOYSA-N
MW194.16 g/mol
LogP-1.79
Rot. Bonds2

About 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one

6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one (PubChem CID 137180961) has the molecular formula C5H6N8O and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one
PubChem CID137180961
Molecular FormulaC5H6N8O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one
SMILESNc1nc(Nn2cnnc2)nc(=O)[nH]1
InChIInChI=1S/C5H6N8O/c6-3-9-4(11-5(14)10-3)12-13-1-7-8-2-13/h1-2H,(H4,6,9,10,11,12,14)
InChIKeyQRNFHALXNMNUMM-UHFFFAOYSA-N
XLogP-1.79
TPSA127.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one
CID 135510207
6-amino-4-[3,5-bis(trifluoromethyl)anilino]-1H-1,3,5-triazin-2-one
CID 135521180
6-amino-4-(3,4-dimethoxyanilino)-1H-1,3,5-triazin-2-one
CID 135789850
6-amino-1H-1,3,5-triazine-2,4-dione;1,3,5-triazine-2,4,6-triamine
CID 69404310
6-(1,2,4-triazol-4-yl)-1H-1,3,5-triazine-2,4-dione
CID 165354153
4-amino-6-bromo-1H-pyrimidin-2-one
CID 101367928
6-amino-4-(dimethylamino)-1H-pyrimidin-2-one
CID 816929
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
6-amino-1-iodo-7H-imidazo[4,5-e][1,3]diazepine-4,8-dione
CID 143864919
6-amino-1H-1,3,5-triazin-2-one;N-trimethylsilyl-4-trimethylsilyloxy-1,3,5-triazin-2-amine
CID 157264054
6-amino-3-methyl-1H-1,3,5-triazine-2,4-dione
CID 23516186
2-amino-6-ethyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135438441

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one (CID 137180961) is 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one is Nc1nc(Nn2cnnc2)nc(=O)[nH]1.
What is the InChIKey of 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one?
The InChIKey is QRNFHALXNMNUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N8O/c6-3-9-4(11-5(14)10-3)12-13-1-7-8-2-13/h1-2H,(H4,6,9,10,11,12,14).
What are the key properties of 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one?
6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one has a molecular weight of 194.16 g/mol, XLogP of -1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(1,2,4-triazol-4-ylamino)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 137180961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).