4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide

C8H10N6O2 — CID 102264493

IUPAC4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide
SMILESNC(=O)c1ncn2c1NCC1OC(N)=NC12
InChIInChI=1S/C8H10N6O2/c9-5(15)4-7-11-1-3-6(13-8(10)16-3)14(7)2-12-4/h2-3,6,11H,1H2,(H2,9,15)(H2,10,13)
InChIKeyRETMKMRTSFZVTL-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.38
Rot. Bonds1

About 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide

4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide (PubChem CID 102264493) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide.

Molecular Properties

Compound Name4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide
PubChem CID102264493
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide
SMILESNC(=O)c1ncn2c1NCC1OC(N)=NC12
InChIInChI=1S/C8H10N6O2/c9-5(15)4-7-11-1-3-6(13-8(10)16-3)14(7)2-12-4/h2-3,6,11H,1H2,(H2,9,15)(H2,10,13)
InChIKeyRETMKMRTSFZVTL-UHFFFAOYSA-N
XLogP-1.38
TPSA120.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(1S,9S,10S,11R)-10,11-dihydroxy-12-oxa-2,5,7-triazatricyclo[7.2.1.03,7]dodeca-3,5-diene-4-carboxamide
CID 101003040
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
1-[(2R,3R,4S,5R)-5-ethyl-3,4-dihydroxyoxolan-2-yl]-5-hydroxyimidazole-4-carboxamide
CID 159068153
(2R,6R,7S)-4-amino-7-[(1R)-1,2-dihydroxyethyl]-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carbonitrile
CID 139114983
1,5-diaminoimidazole-4-carboxamide
CID 55289847
2-sulfanylidene-3,4-dihydro-1H-imidazo[1,5-a]pyrimidine-8-carboxamide
CID 10845548
1-[(3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 88932461
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 87527740
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 11694639
1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethynylimidazole-4-carboxamide
CID 163978950
[(2S,5R)-5-(4-carbamoyl-5-hydroxyimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 146511040
bis(1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide);hydrate
CID 21140713

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide?
The IUPAC name of 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide (CID 102264493) is 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide.
What is the SMILES notation for 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide?
The canonical SMILES for 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide is NC(=O)c1ncn2c1NCC1OC(N)=NC12.
What is the InChIKey of 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide?
The InChIKey is RETMKMRTSFZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c9-5(15)4-7-11-1-3-6(13-8(10)16-3)14(7)2-12-4/h2-3,6,11H,1H2,(H2,9,15)(H2,10,13).
What are the key properties of 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide?
4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide has a molecular weight of 222.21 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide is sourced from PubChem (CID 102264493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).